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24593-48-4 | Benzeneacetic acid, α-amino-4-methoxy-, (αS)-
CAS No: 24593-48-4 Catalog No: AG002OP3 MDL No:
Product Description
Catalog Number:
AG002OP3
Chemical Name:
Benzeneacetic acid, α-amino-4-methoxy-, (αS)-
CAS Number:
24593-48-4
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
(2S)-2-amino-2-(4-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H11NO3/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m0/s1
InChI Key:
GXUAKXUIILGDKW-QMMMGPOBSA-N
SMILES:
COc1ccc(cc1)[C@@H](C(=O)O)N
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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