benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid

C20H14O8 — CID 70544806

IUPACbenzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.O=C(O)c1cccc2ccccc12
InChIInChI=1S/C11H8O2.C9H6O6/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-7H,(H,12,13);1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyGZAAAJPAVXQRGO-UHFFFAOYSA-N
MW382.32 g/mol
LogP3.32
Rot. Bonds4

About benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid

benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid (PubChem CID 70544806) has the molecular formula C20H14O8 and a molecular weight of 382.32 g/mol. Its IUPAC name is benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid.

Molecular Properties

Compound Namebenzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
PubChem CID70544806
Molecular FormulaC20H14O8
Molecular Weight382.32 g/mol
Exact Mass382.07
IUPAC Namebenzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.O=C(O)c1cccc2ccccc12
InChIInChI=1S/C11H8O2.C9H6O6/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-7H,(H,12,13);1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyGZAAAJPAVXQRGO-UHFFFAOYSA-N
XLogP3.32
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

benzene-1,3-dicarboxylic acid;ethane-1,2-diol;naphthalene-1-carboxylic acid
CID 175531954
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
3-methoxycarbonyl-5-(naphthalene-1-carbonyl)benzoic acid
CID 174782525
5-methylbenzene-1,3-dicarboxylic acid;naphthalen-1-ol
CID 158292153
4-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylethanone
CID 174709579
benzene-1,3-dicarboxylic acid;naphthalene-1,2-dicarboxylic acid;terephthalic acid
CID 157108272
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
7-tert-butylnaphthalene-1-carboxylic acid
CID 130352675
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylethanone
CID 174493325

Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid?
The IUPAC name of benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid (CID 70544806) is benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid.
What is the SMILES notation for benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid?
The canonical SMILES for benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid is O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.O=C(O)c1cccc2ccccc12.
What is the InChIKey of benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid?
The InChIKey is GZAAAJPAVXQRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2.C9H6O6/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-7H,(H,12,13);1-3H,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid?
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid has a molecular weight of 382.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid is sourced from PubChem (CID 70544806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).