4MA

4-METHYLBENZOIC ACID

Created:	2006-07-26
Last modified:	2024-09-27

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5 entries where 4MA is found as a standalone ligand1 entries where 4MA is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of 4MA

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Chemical Component Summary
Name	4-METHYLBENZOIC ACID
Synonyms	P-METHYLBENZOIC ACID
Systematic Name (OpenEye OEToolkits)	4-methylbenzoic acid
Formula	C₈ H₈ O₂
Molecular Weight	136.148
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1ccc(cc1)C
SMILES	CACTVS	3.341	Cc1ccc(cc1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1)C(=O)O
Canonical SMILES	CACTVS	3.341	Cc1ccc(cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey	InChI	1.03	LPNBBFKOUUSUDB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7470
ChEMBL	CHEMBL21708
ChEBI	CHEBI:36635
CCDC/CSD	PTOLIC01, WIFBIX, PUCTOZ, LUSXUU, CILLUG, KALQOF, ZAQMIP, USOBOU, RAMMIC, AJAKIF, CILMER, MAVBAP, CAHNEG, CILLAM, ROKQAJ, LIGNAT, ONAQAW, OFOKOK01, IPEVOP01, SIHBET, SANBER, CILLIU, OFOKOK, PEKDIT, SEZXAX, VANRAD, FICYIB, SOVSOO, IPEVOP02, CEKPOZ, QIQHOP, DUBBIL, TIXLAO, KUBRUX, MENQIJ, MENREG, PTOLIC02
COD	2006666, 1561078

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