AG003QXQ

495-69-2 | 2-Benzamidoacetic acid

AG003QXQ

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CAS Number	495-69-2
Catalog Number	AG003QXQ(AGN-PC-0JK5LA)
Chemical Name	2-Benzamidoacetic acid
EC Number	207-806-3
IUPAC Name	2-benzamidoacetic acid
InChI	InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChI Key	QIAFMBKCNZACKA-UHFFFAOYSA-N
MDL Number	MFCD00002692
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
NSC Number	9982
SMILES	C(=O)(NCC(=O)O)c1ccccc1
UNII	TE0865N2ET
Synonyms	ammonium hippurate, benzamidoacetic acid, benzoylglycine, hippurate, hippuric acid, hippuric acid, (14)C-labeled, hippuric acid, monoammonium salt, hippuric acid, monopotassium salt, hippuric acid, monosodium salt, Hippuric acid, 2-Benzamidoacetic acid, 495-69-2, N-Benzoylglycine, Benzoylglycine, Glycine, N-benzoyl-, Benzamidoacetic acid, Benzoylaminoacetic acid, hippurate, Hippursaeure, Phenylcarbonylaminoacetic acid, Benzamidoessigsaeure, Benzoylaminoessigsaeure, N-Benzoyl-glycin, Acetic acid, (benzoylamino)-, Acido ippurico, (benzoylamino)acetic acid, Acido ippurico [Italian], Bz-Gly-OH, 2-(Phenylformamido)Acetic Acid, NSC 9982, UNII-TE0865N2ET, MFCD00002692, Hippuric acid, 98%, N-(phenylcarbonyl)glycine, EINECS 207-806-3, 66407-11-2, CHEMBL461, BRN 1073987, AI3-01062, TE0865N2ET, CHEBI:18089, QIAFMBKCNZACKA-UHFFFAOYSA-N, N-benzoylglycinate, NCGC00159486-02, ACETIC ACID,BENZAMIDE HIPPURIC ACID, DSSTox_CID_26073, DSSTox_RID_81320, DSSTox_GSID_46073, N-benzoylglycinate anion, N-benzoylglycinate(1-), 2-(phenylcarbonylamino)acetic acid, CAS-495-69-2, Benzoylglycin, Benzamidoacetate, Benzoylglycocoll, N-benzoylglycind, benzoyl glycocold, n-benzoyl-glycine, N-benzoyl glycine, Hippuric acid, Na, Hippuric Acid,(S), N-Benzoylglycinic acid, (benzoylamino)-Acetate, PubChem14914, benzoyl amidoacetic acid, benzoylamino-acetic acid, 2-benzamidoethanoic acid, Phenylcarbonylaminoacetate, (benzoylamino)-Acetic acid, bmse000408, AC1L19AM, AC1Q75YV, Cambridge id 5116993, SCHEMBL7486, 2-(benzoylamino)acetic acid, TimTec1_002805, N-Benzoylglycinic acid anion, N-Benzoylglycinic acid(1-), Oprea1_124422, Oprea1_492747, 4-09-00-00778 (Beilstein Handbook Reference), KSC236C3P, MLS001074359, BIDD:ER0490, N-BENZOYL(D5) GLYCINE, ACMC-1B480, DTXSID9046073, CTK1D6137, KS-00000OGQ, NSC9982, Hippuric acid, puriss., 99.0%, HMS1541P11, HMS2230I23, HMS3373I07, ALBB-005966, BCP25964, NSC-9982, ZINC6344064, Benzenecarboxamide, N-carboxymethyl-, Tox21_111710, ANW-30789, BBL008217, BDBM50009999, HTS004658, SBB003759, STK011394, AKOS000118897, Tox21_111710_1, BS-3968, CS-W017278, HY-W016562, MCULE-2214602350, RP24044, RTR-017819, SDCCGMLS-0064636.P001, TRA0010509, NCGC00159486-03, NCGC00159486-04, NCGC00159486-06, AJ-11046, AK-42216, AN-45300, LS-75804, SMR000112115, ST037059, TL806360, DB-051645, ST2404157, TR-017819, 4CH-018112, FT-0084354, FT-0627072, FT-0660260, R1048, W7742, C01586, AB00375781-06, Q-201204, S01-0453, F2111-0036, 37C5E4E2-F7A0-451C-A041-5C9A71D92FA7, InChI=1/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12, Ammonium hippurate, 2-benzamidoacetate, 2-benzamidoaceticacid, 2-benzamido-acetic acid, C9H9NO3, CID464, hippuric acid, (14)C-labeled, hippuric acid, monoammonium salt, hippuric acid, monopotassium salt, ((Phenylmethanoyl)amino)ethansaure, C9-H9-N-O3, HIPPURIC ACID, MONOSODIUM SALT, Glycine,N-benzoyl-,labeledwithdeuterium, Hippuric acid, 98% - 100G 100g, HIPpuric Acid 98% for synthesis 100gm, H0143, C030514, 91787-63-2,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.175g/mol
Monoisotopic Mass	179.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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