AG00370T

62561-76-6 | 3-(2-Thienyl)-D-alanine

AG00370T

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CAS Number	62561-76-6
Catalog Number	AG00370T(AGN-PC-0T5053)
Chemical Name	3-(2-Thienyl)-D-alanine
IUPAC Name	(2R)-2-amino-3-thiophen-2-ylpropanoic acid
InChI	InChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m1/s1
InChI Key	WTOFYLAWDLQMBZ-ZCFIWIBFSA-N
MDL Number	MFCD00077166
Molecular Formula	C7H9NO2S
Molecular Weight	171.2169
SMILES	S1C(=CC=C1)C[C@@H](N)C(=O)O
UNII	PJ4EM0CL5E
Synonyms	62561-76-6, 3-(2-Thienyl)-D-alanine, D-2-THIENYLALANINE, (R)-2-amino-3-(thiophen-2-yl)propanoic acid, beta-(2-Thienyl)-D-alanine, (2R)-2-amino-3-thiophen-2-ylpropanoic acid, H-D-Thi-OH, UNII-PJ4EM0CL5E, beta-2-thienyl-D-alanine, PJ4EM0CL5E, H--(2-Thienyl)-D-Ala-OH, H-D-3-(2-thienyl)-Ala-OH, MFCD00077166, (2R)-2-amino-3-(2-thienyl)propanoic acid, (2R)-2-Amino-3-(2-thienyl)propionic acid, EN300-77292, (2R)-2-azanyl-3-thiophen-2-yl-propanoic acid, AK162613, PubChem18712, AC1OG7CN, d-3-(2-thienyl)alanine, a-(2-thienyl)-D-alanine, b-(2-Thienyl)-D-alanine, 3-(2-thiophenyl)-D-alanine, BIDD:GT0430, SCHEMBL288244, beta-(2-thiophenyl)-D-alanine, CHEBI:77819, CTK8F8097, WTOFYLAWDLQMBZ-ZCFIWIBFSA-N, CS-M2655, ZINC4141712, ZX-AT014751, KM0633, AKOS012010222, AKOS015854101, AC-9985, AM83777, FCH3449194, OR14733, AJ-48181, CC-26219, PS-12177, AX8005085, TL8004187, FT-0640833, ST24035331, (2R)-2-Amino-3-(2-thienyl) propionic acid, (2R)-2-amino-3-(thiophen-2-yl)propanoic acid, 561T766, A809328, A814337, 2-Thiophenepropanoic acid, alpha-amino-, (alphaR)-, UNII-6ZK0RDK1XB component WTOFYLAWDLQMBZ-ZCFIWIBFSA-N, Thienylalanine, D-3-Thienylalanine, L-3-Thienylalanine, C7H9NO2S, ACN-026200, CID7111750, 152612-26-5, 2021-58-1, 139-86-6, 3685-51-6,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	171.035g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	171.214g/mol
Monoisotopic Mass	171.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	91.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.7

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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