AG00BZPV

40638-98-0 | 3-Acetylamino-3-phenyl-propionic acid

AG00BZPV

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CAS Number	40638-98-0
Catalog Number	AG00BZPV(AGN-PC-0ROL0R)
Chemical Name	3-Acetylamino-3-phenyl-propionic acid
IUPAC Name	3-acetamido-3-phenylpropanoic acid
InChI	InChI=1S/C11H13NO3/c1-8(13)12-10(7-11(14)15)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)
InChI Key	HTWAFOFDKZAKQP-UHFFFAOYSA-N
MDL Number	MFCD00181164
Molecular Formula	C11H13NO3
Molecular Weight	207.2258
SMILES	O=C(O)CC(NC(C)=O)C1=CC=CC=C1
Synonyms	40638-98-0, 3-acetamido-3-phenylpropanoic acid, n-acetyl-3-phenyl-dl-beta-alanine, 3-Acetylamino-3-phenyl-propionic acid, Ac-DL-|A-Phe-OH, N-Acetyl-beta-DL-phenylalanine, N-Acetyl-DL-beta-phenylalanine, CBDivE_006092, 3-Acetylamino-3-phenyl-propionicacid, Ac-DL-beta-Phe-OH, PubChem23359, Enamine_004038, AC1MQQJ0, AC1Q1KG1, Oprea1_039734, MLS000776240, SCHEMBL640977, N-Acetyl-DL-|A-phenylalanine, N-acetyl-3-phenyl-beta-alanine, CHEMBL1877034, CTK4I3483, DTXSID80392879, HTWAFOFDKZAKQP-UHFFFAOYSA-N, HMS1405H12, HMS2773D04, ACT09692, 3-acetamido-3-phenyl-propanoic acid, ANW-45628, MFCD00181164, STL377870, AKOS000264478, AKOS016050873, AC-9100, AN-7357, AS06793, CA-1052, MCULE-1544186638, N-ACETYL-DL-BETA-PHENYLALANINE*, 3-(acetylamino)-3-phenylpropanoic acid, 3-(Acetylamino)-3-phenylpropionic acid, Benzenepropanoicacid, |A-(acetylamino)-, AS-35548, SMR000371239, (+)-3-acetylamino-3-phenylpropanoic acid, Benzenepropanoic acid, beta-(acetylamino)-, AB0006426, DB-031716, ST2404860, TC-061025, A6791, FT-0754557, W6121, 3-ACETYLAMINO-3-PHENYL-PROPANOIC ACID, EN300-04175, (+/-)-3-(Acetylamino)-3-phenylpropionic acid, BETA-(ACETYLAMINO)-BENZENEPROPANOIC ACID, X-3699, N-Acetyl-DL-beta-phenylalanine, >=97.0% (HPLC), Q-102235, Z56860295, ( inverted exclamation markA)-3-(Acetylamino)-3-phenylpropionic acid, hydrocinnamic acid, C11H13NO3, CID3480882,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.09g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	207.229g/mol
Monoisotopic Mass	207.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number