4-(hydroxycarbonylmethyl)(14C)benzoic acid

C9H8O4 — CID 135132430

IUPAC4-(hydroxycarbonylmethyl)(14C)benzoic acid
SMILESO=C(O)c1ccc(C[14C](=O)O)cc1
InChIInChI=1S/C9H8O4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)/i8+2
InChIKeyDMEDOWYXHVUPMO-PPJXEINESA-N
MW182.15 g/mol
LogP1.01
Rot. Bonds3

About 4-(hydroxycarbonylmethyl)(14C)benzoic acid

4-(hydroxycarbonylmethyl)(14C)benzoic acid (PubChem CID 135132430) has the molecular formula C9H8O4 and a molecular weight of 182.15 g/mol. Its IUPAC name is 4-(hydroxycarbonylmethyl)(14C)benzoic acid.

Molecular Properties

Compound Name4-(hydroxycarbonylmethyl)(14C)benzoic acid
PubChem CID135132430
Molecular FormulaC9H8O4
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name4-(hydroxycarbonylmethyl)(14C)benzoic acid
SMILESO=C(O)c1ccc(C[14C](=O)O)cc1
InChIInChI=1S/C9H8O4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)/i8+2
InChIKeyDMEDOWYXHVUPMO-PPJXEINESA-N
XLogP1.01
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(bromomethyl)benzoic acid;hydrobromide
CID 67089483
terephthalic acid
CID 160582437
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
CID 70258691
CID 70258691
4-(2-hydroxyethyl)benzoic acid
CID 506062
4-[9-(4-carboxyphenyl)nonyl]benzoic acid
CID 90051531
4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol
CID 159984527
4-(3-methylbutan-2-ylsulfanylmethyl)benzoic acid
CID 107746214
ethene;terephthalic acid
CID 18755810
potassium;terephthalic acid;hydroxide
CID 157415014

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxycarbonylmethyl)(14C)benzoic acid?
The IUPAC name of 4-(hydroxycarbonylmethyl)(14C)benzoic acid (CID 135132430) is 4-(hydroxycarbonylmethyl)(14C)benzoic acid.
What is the SMILES notation for 4-(hydroxycarbonylmethyl)(14C)benzoic acid?
The canonical SMILES for 4-(hydroxycarbonylmethyl)(14C)benzoic acid is O=C(O)c1ccc(C[14C](=O)O)cc1.
What is the InChIKey of 4-(hydroxycarbonylmethyl)(14C)benzoic acid?
The InChIKey is DMEDOWYXHVUPMO-PPJXEINESA-N. The full InChI is InChI=1S/C9H8O4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)/i8+2.
What are the key properties of 4-(hydroxycarbonylmethyl)(14C)benzoic acid?
4-(hydroxycarbonylmethyl)(14C)benzoic acid has a molecular weight of 182.15 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxycarbonylmethyl)(14C)benzoic acid is sourced from PubChem (CID 135132430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).