AG01DD0G

2061996-84-5 | (S)-3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid

AG01DD0G

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CAS Number	2061996-84-5
Catalog Number	AG01DD0G
Chemical Name	(S)-3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid
IUPAC Name	(3S)-3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid;hydrochloride
InChI	InChI=1S/C10H12ClNO3.ClH/c1-15-8-3-6(2-7(11)4-8)9(12)5-10(13)14;/h2-4,9H,5,12H2,1H3,(H,13,14);1H/t9-;/m0./s1
InChI Key	UNSVDYBHADSVOU-FVGYRXGTSA-N
MDL Number	MFCD30609569
Molecular Formula	C10H13Cl2NO3
Molecular Weight	266.1211
SMILES	O=C(O)C[C@H](N)C1=CC(OC)=CC(Cl)=C1.[H]Cl
Synonyms	(S)-3-Amino-3-(3-chloro-5-methoxyphenyl)propanoic acid hydrochloride, 2061996-84-5, KS-00000U3V, AKOS030632973, AS-55184, (s)-3-amino-3-(3-chloro-5-methoxyphenyl)propanoic acid hcl,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	265.027g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	266.118g/mol
Monoisotopic Mass	265.027g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

Lot Number