butanedioic acid;2-hydroxybenzoic acid

C11H12O7 — CID 68741404

IUPACbutanedioic acid;2-hydroxybenzoic acid
SMILESO=C(O)CCC(=O)O.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H6O4/c8-6-4-2-1-3-5(6)7(9)10;5-3(6)1-2-4(7)8/h1-4,8H,(H,9,10);1-2H2,(H,5,6)(H,7,8)
InChIKeyGSYUXYXARXLYDO-UHFFFAOYSA-N
MW256.21 g/mol
LogP1.03
Rot. Bonds4

About butanedioic acid;2-hydroxybenzoic acid

butanedioic acid;2-hydroxybenzoic acid (PubChem CID 68741404) has the molecular formula C11H12O7 and a molecular weight of 256.21 g/mol. Its IUPAC name is butanedioic acid;2-hydroxybenzoic acid.

Molecular Properties

Compound Namebutanedioic acid;2-hydroxybenzoic acid
PubChem CID68741404
Molecular FormulaC11H12O7
Molecular Weight256.21 g/mol
Exact Mass256.06
IUPAC Namebutanedioic acid;2-hydroxybenzoic acid
SMILESO=C(O)CCC(=O)O.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C4H6O4/c8-6-4-2-1-3-5(6)7(9)10;5-3(6)1-2-4(7)8/h1-4,8H,(H,9,10);1-2H2,(H,5,6)(H,7,8)
InChIKeyGSYUXYXARXLYDO-UHFFFAOYSA-N
XLogP1.03
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxybenzoic acid;molecular hydrogen
CID 143717517
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
2-hydroxybenzoic acid;silver
CID 87326670
2-hydroxybenzoic acid;2-(2-hydroxyphenyl)acetic acid
CID 70273337
2-chloroacetic acid;2-hydroxybenzoic acid
CID 57351465
sodium;butanedioic acid;hydride;phthalic acid
CID 174701100

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;2-hydroxybenzoic acid?
The IUPAC name of butanedioic acid;2-hydroxybenzoic acid (CID 68741404) is butanedioic acid;2-hydroxybenzoic acid.
What is the SMILES notation for butanedioic acid;2-hydroxybenzoic acid?
The canonical SMILES for butanedioic acid;2-hydroxybenzoic acid is O=C(O)CCC(=O)O.O=C(O)c1ccccc1O.
What is the InChIKey of butanedioic acid;2-hydroxybenzoic acid?
The InChIKey is GSYUXYXARXLYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C4H6O4/c8-6-4-2-1-3-5(6)7(9)10;5-3(6)1-2-4(7)8/h1-4,8H,(H,9,10);1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;2-hydroxybenzoic acid?
butanedioic acid;2-hydroxybenzoic acid has a molecular weight of 256.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;2-hydroxybenzoic acid is sourced from PubChem (CID 68741404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).