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127369-30-6 | Benzeneacetic acid, α-amino-4-hydroxy-, methyl ester, hydrochloride (1:1), (αS)-
CAS No: 127369-30-6 Catalog No: AG000WZZ MDL No:MFCD01862153
Product Description
Catalog Number:
AG000WZZ
Chemical Name:
Benzeneacetic acid, α-amino-4-hydroxy-, methyl ester, hydrochloride (1:1), (αS)-
CAS Number:
127369-30-6
Molecular Formula:
C9H12ClNO3
Molecular Weight:
217.6495
MDL Number:
MFCD01862153
IUPAC Name:
methyl (2S)-2-amino-2-(4-hydroxyphenyl)acetate;hydrochloride
InChI:
InChI=1S/C9H11NO3.ClH/c1-13-9(12)8(10)6-2-4-7(11)5-3-6;/h2-5,8,11H,10H2,1H3;1H/t8-;/m0./s1
InChI Key:
UYCKVJUNDXPDJH-QRPNPIFTSA-N
SMILES:
COC(=O)[C@H](c1ccc(cc1)O)N.Cl
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
217.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
217.649g/mol
Monoisotopic Mass:
217.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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