AG003GL7

616-75-1 | 2-Benzylmalonic acid

AG003GL7

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CAS Number	616-75-1
Catalog Number	AG003GL7(AGN-PC-0JKADG)
Chemical Name	2-Benzylmalonic acid
EC Number	210-491-5
IUPAC Name	2-benzylpropanedioic acid
InChI	InChI=1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)
InChI Key	JAEJSNFTJMYIEF-UHFFFAOYSA-N
MDL Number	MFCD00004261
Molecular Formula	C10H10O4
Molecular Weight	194.1840
NSC Number	8068
SMILES	O=C(O)C(CC1=CC=CC=C1)C(O)=O
Synonyms	2-benzylmalonate, Benzylmalonic acid, 2-Benzylmalonic acid, 616-75-1, 2-benzylpropanedioic acid, 2-Benzylmalonate, Propanedioic acid, (phenylmethyl)-, Benzylmalonicacid, Benzomalonate acid, Malonic acid, 2-benzyl-, USAF XR-36, MALONIC ACID, BENZYL-, NSC 8068, 1,1-Ethanedicarboxylic acid, 2-phenyl-, EINECS 210-491-5, BRN 0643530, AI3-23865, CHEMBL3799891, JAEJSNFTJMYIEF-UHFFFAOYSA-N, benzylpropanedioic acid, Benzlmalonic acid, benzyl malonic acid, 2-benzyl-malonic acid, AC1L1YOX, WLN: QVYVQ1R, Benzylmalonic acid, 99%, ACMC-209mv9, AC1Q71OK, 4-09-00-03357 (Beilstein Handbook Reference), SCHEMBL392827, CTK5B3549, JAEJSNFTJMYIEF-UHFFFAOYSA-, 2-(phenylmethyl)propanedioic acid, DTXSID00210607, NSC8068, HMS1766N06, NSC-8068, ZINC6661085, ANW-33907, BBL011373, BDBM50167964, MFCD00004261, Propanedioic acid,2-(phenylmethyl)-, SBB058116, STL146470, AKOS000120396, MCULE-2962798523, NE10304, KS-000013G5, AJ-56525, AN-46604, LS-88787, M039, Propanedioic acid, (phenylmethyl)- (9CI), Benzylmalonic acid, purum, >=98.0% (T), TL8003923, TR-021230, B0422, FT-0622853, ST24027784, ST50308080, EN300-17393, S01-0384, Z56924540, DUW, InChI=1/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14), 1, 2-phenyl-, C10H10O4, CID12031, 2-(Diethylamino)-N-mesitylacetamide, C10-H10-O4, Benzylmalonic acid, 98% - 25G 25g, (2R)-2-methanoyl-3-phenyl-propanoic acid,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.186g/mol
Monoisotopic Mass	194.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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

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