AG00I94D

50890-96-5 | Benzeneacetic acid, a-[(methoxycarbonyl)amino]-, (aR)-

AG00I94D

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CAS Number	50890-96-5
Catalog Number	AG00I94D(AGN-PC-0S99M1)
Chemical Name	Benzeneacetic acid, a-[(methoxycarbonyl)amino]-, (aR)-
IUPAC Name	(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid
InChI	InChI=1S/C10H11NO4/c1-15-10(14)11-8(9(12)13)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,11,14)(H,12,13)/t8-/m1/s1
InChI Key	GOJLQSAREKTKPT-MRVPVSSYSA-N
MDL Number	MFCD12796004
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
SMILES	O=C(O)[C@H](NC(OC)=O)C1=CC=CC=C1
Synonyms	50890-96-5, (r)-2-((methoxycarbonyl)amino)-2-phenylacetic acid, (R)-2-(methoxycarbonylamino)-2-phenylacetic acid, AK175081, SCHEMBL194384, N-Methoxycarbonyl-D-phenylglycine, GOJLQSAREKTKPT-MRVPVSSYSA-N, MFCD12796004, ZINC19815778, AKOS010384803, DS-8960, BBV-32458286, (R)-methoxycarbonylamino-phenyl-acetic acid, CS-0036426, Benzeneacetic acid, a-[(methoxycarbonyl)amino]-, (aR)-, CID10910775, [(Methoxycarbonyl)amino](phenyl)acetic acid,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	209.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	209.201g/mol
Monoisotopic Mass	209.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.6A^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-P305+P351+P338
UN Code

Certificate of Analysis

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