AG002RSE

2613-89-0 | Propanedioic acid, 2-phenyl-

AG002RSE

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CAS Number	2613-89-0
Catalog Number	AG002RSE(AGN-PC-004CZJ)
Chemical Name	Propanedioic acid, 2-phenyl-
EC Number	220-044-6
IUPAC Name	2-phenylpropanedioic acid
InChI	InChI=1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
InChI Key	WWYDYZMNFQIYPT-UHFFFAOYSA-N
MDL Number	MFCD00004253
Molecular Formula	C9H8O4
Molecular Weight	180.1574
SMILES	O=C(O)C(C1=CC=CC=C1)C(O)=O
Synonyms	phenylmalonic acid, Phenylmalonic acid, 2613-89-0, 2-Phenylmalonic acid, 2-phenylpropanedioic acid, Propanedioic acid, phenyl-, Phenylmalonicacid, Phenylpropanedioc acid, Malonic acid, phenyl-, RU78191, Propanedioic acid, 2-phenyl-, phenylpropanedioic acid, CHEMBL78794, .alpha.-Carboxyphenylacetic acid, WWYDYZMNFQIYPT-UHFFFAOYSA-N, MFCD00004253, Toluene-.alpha.,.alpha.-dicarboxylic acid, phenylmalonate, alpha-Carboxyphenylacetic acid, EINECS 220-044-6, Toluene-alpha,alpha-dicarboxylic acid, NSC 27164, NSC 41697, 2-Phenyl-malonic acid, 1o4p, AC1L2PIV, Phenylmalonic acid, 98%, ACMC-1CC0S, PHENYL MALONIC ACID, AC1Q5RO4, ARONIS24819, SCHEMBL148725, Malonic acid, phenyl- (8CI), Jsp005140, DTXSID5062552, BDBM14676, CTK3I9729, KS-00000UIC, WWYDYZMNFQIYPT-UHFFFAOYSA-, HMS3604J09, NSC27164, NSC41697, ZINC8465797, ANW-25891, GEO-02122, NSC-27164, NSC-41697, SBB064985, STL256834, AKOS005206862, DB04080, MCULE-3483592840, RTR-036292, TRA0006381, VZ36825, KS-000046R2, AC-11316, AJ-57578, AS-12447, AB1002324, DB-067539, TR-036292, FT-0657774, P0987, ST24028135, ST45053552, 613P890, I01-6585, W-107197, InChI=1/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13), null, Fragment 6, 2-Phenylmalonicacid, D0R7BX, C9H8O4, C9-H8-O4, CID75791, AR-1L0639, 89182-68-3,

Complexity	192
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	2
Isotope Atom Count	0
Molecular Weight	180.159g/mol
Monoisotopic Mass	180.042g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number