AG003K8U

1679-64-7 | 4-(Methoxycarbonyl)benzoic acid

AG003K8U

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CAS Number	1679-64-7
Catalog Number	AG003K8U(AGN-PC-0KXDXI)
Chemical Name	4-(Methoxycarbonyl)benzoic acid
EC Number	216-849-7
IUPAC Name	4-methoxycarbonylbenzoic acid
InChI	InChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)
InChI Key	REIDAMBAPLIATC-UHFFFAOYSA-N
MDL Number	MFCD00002557
Molecular Formula	C9H8O4
Molecular Weight	180.1574
NSC Number	210838
SMILES	C1=CC(=CC=C1C(O)=O)C(OC)=O
UNII	G2T5130M28
Synonyms	methyl terephthalate, monomethyl terephthalate, 1679-64-7, 4-(Methoxycarbonyl)benzoic acid, Mono-methyl terephthalate, Monomethyl terephthalate, 4-Methoxycarbonylbenzoic acid, Methyl hydrogen terephthalate, Terephthalic acid monomethyl ester, 1,4-Benzenedicarboxylic acid, monomethyl ester, 1,4-Benzenedicarboxylic acid monomethyl ester, UNII-G2T5130M28, Terephthalic acid, monomethyl ester, HYDROGEN METHYL TEREPHTHALATE, mono-Methyl terephthalate, 97%, REIDAMBAPLIATC-UHFFFAOYSA-N, MFCD00002557, G2T5130M28, 1,4-Benzenedicarboxylic acid, 1-methyl ester, mono-Methylterephthalate, 1,4-BENZENEDICARBOXYLIC ACID,MONOMETHYL ESTER, p-Carboxy-alpha-toluic acid, 4-(Carbomethoxy)benzoic acid, HSDB 5849, Acetic acid, (4-carboxyphenyl)-, EINECS 216-849-7, NSC 210838, PubChem13264, Methyl 4-carboxybenzoate, DSSTox_CID_7425, Terephthalic acid 1-methyl, terephthalic acid methylester, DSSTox_RID_78449, DSSTox_GSID_27425, SCHEMBL63466, 4-Methoxycarbonyl benzoic acid, 4-Methoxycarbonyl-benzoic acid, AC1L261X, AC1Q436F, ARONIS013882, Jsp003399, CHEMBL3560150, DTXSID1027425, terephtalic acid monomethyl ester, terepthalic acid monomethyl ester, terphthalic acid monomethyl ester, 4-(methoxycarbonyl )benzoic acid, 4-(methoxycarbonyl)-benzoic acid, 4-carboxybenzoic acid methyl ester, ZINC163686, 4-(Methoxycarbonyl)benzoic acid #, terephthalic acid mono methyl ester, BCP08782, 4-[(methyloxy)carbonyl]benzoic acid, Tox21_200990, 4Methoxycarbonylbenzenecarboxylic acid, NSC210838, SBB052833, STK397541, 4-Methoxycarbonylbenzenecarboxylic acid, AKOS000278859, AN-6814, CS-W017217, MCULE-3269682275, NSC-210838, PS-4528, RP24138, VZ32769, KS-0000024Q, KS-000044G7, NCGC00258543-01, NCGC00337148-01, AC-13542, AJ-16062, AK-46603, BR-46603, SC-11268, SY010493, CAS-1679-64-7, Terephthalic acid, monomethyl ester (8CI), AB1008662, TR-048222, FT-0633764, ST45050589, TL80073614, MFCD00002557 (98%), B-7419, AB01331009-02, 679M647, I01-0636, W-107904, F3377-0706, Z239081272, Methyl hydrogen terephthalate; Terephthalic acid monomethyl ester, InChI=1/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11, Methyl terephthalate, Homoterephthalic acid, 1, monomethyl ester, mono-Methyl terephthlate, Terephthalic acid methyl ester, C9H8O4, mono-Methyl terephthalate(MMT), C9-H8-O4, CID15513, 1,4-Benzenedicarboxylic acid, methyl ester, T0244, p-Methyl terephthalate, 97% - 100G 100g,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.042g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.159g/mol
Monoisotopic Mass	180.042g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number