AG003S5R

4376-18-5 | 2-(Methoxycarbonyl)benzoic acid

AG003S5R

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CAS Number	4376-18-5
Catalog Number	AG003S5R(AGN-PC-0JKF9B)
Chemical Name	2-(Methoxycarbonyl)benzoic acid
EC Number	224-476-6
IUPAC Name	2-methoxycarbonylbenzoic acid
InChI	InChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)
InChI Key	FNJSWIPFHMKRAT-UHFFFAOYSA-N
MDL Number	MFCD00002466
Molecular Formula	C9H8O4
Molecular Weight	180.1574
NSC Number	8281
SMILES	C(=O)(OC)c1c(C(=O)O)cccc1
UNII	2STT6D18JR
Synonyms	1,2-benzenedicarboxylic acid monomethyl ester, monomethyl phthalate, 2-(Methoxycarbonyl)benzoic acid, 4376-18-5, Methyl hydrogen phthalate, MONOMETHYL PHTHALATE, mono-Methyl phthalate, Phthalic acid monomethyl ester, o-(Methoxycarbonyl)benzoic acid, Monomethyl 1,2-benzenedicarboxylate, Phthalic acid, monomethyl ester, UNII-2STT6D18JR, NSC 8281, 1,2-Benzenedicarboxylic acid, monomethyl ester, D 3 (ester), 2STT6D18JR, 2-methoxycarbonylbenzoic acid, CHEBI:89749, FNJSWIPFHMKRAT-UHFFFAOYSA-N, MFCD00002466, D 3, mono-Methyl phthalate, 98%, monomethylphthalate, Methyl phthalate (VAN), D 3 (VAN), D3, EINECS 224-476-6, Phthalic acid 1-methyl, AI3-02332, Methyl 2-Carboxybenzoate, 2-carbomethoxybenzoic acid, ACMC-209zk8, O-(methoxycarbonyl)benzoate, 2-(Methoxycarbonyl)benzoate, Phthalic acid, methyl ester, DSSTox_CID_20001, DSSTox_RID_79437, BIDD:PXR0156, DSSTox_GSID_40001, SCHEMBL40534, mono-Methyl phthalate, 97%, AC1L2G67, AC1Q42D6, CHEMBL243609, DTXSID9040001, CTK3J2393, KS-00000CMF, Phthalic acid, mono-methyl ester, NSC8281, ZINC391887, 2-(1-Methoxycarbonyl)benzoic Acid, 2-(Methoxycarbonyl)benzoic acid #, ALBB-024862, CS-D1453, NSC-8281, Tox21_300735, ANW-50358, RW3197, SBB007828, STK387125, AKOS000278869, FR-0410, LS11796, MCULE-2559625268, Phthalic acid, monomethyl ester (8CI), QC-1980, RP24134, RTR-016968, VZ32756, NCGC00164438-01, NCGC00164438-02, NCGC00164438-03, NCGC00164438-04, NCGC00254641-01, AJ-21156, AK-48250, BP-13059, BR-48250, mono-Methyl phthalate, analytical standard, SC-21622, SY010760, TS-02513, CAS-4376-18-5, AB0024926, DB-027127, ST2409391, TR-016968, 1,2-Benzenedicarboxylic Acid 1-Methyl Ester, AM20060631, FT-0084486, FT-0628330, ST45027999, W6290, 1,2-benzenedicarboxylic acid, 1-methyl ester, Benzene-1,2-dicarboxylic acid monomethyl ester, S-1466, 34841-EP2275409A1, 34841-EP2277882A1, 34841-EP2289893A1, 34841-EP2311801A1, 34841-EP2311802A1, 34841-EP2311803A1, 34841-EP2311826A2, 34841-EP2371814A1, AB01334586-02, MFCD00002466 (97+%), AR-360/13197749, J-506453, 1,2-Benzenedicarboxylic acid, monomethyl ester (9CI), I14-18967, F1791-1742, Z1259162142, InChI=1/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11, Methyl phthalate, METHYLPHTHALATE, 1, monomethyl ester, Phthalic acid methyl ester, MMP (Mono-methyl phthalate), Mono-methyl phthalate (MMP), C9H8O4, C9-H8-O4, CID20392, 1,2-benzenedicarboxylic acid monomethyl ester, Methyl hydrogen phthalate, 98% - 25G 25g, C517284, Monomethyl phthalate (<lt/> 100 microg/ml) in cyclohexane, MMP,

Complexity	212
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	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number