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78397-14-5 | (S);-2-((1-Phenylethyl);amino);acetic acid
CAS No: 78397-14-5 Catalog No: AG003CIF MDL No:MFCD11656778
Product Description
Catalog Number:
AG003CIF
Chemical Name:
(S);-2-((1-Phenylethyl);amino);acetic acid
CAS Number:
78397-14-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD11656778
IUPAC Name:
2-[[(1S)-1-phenylethyl]amino]acetic acid
InChI:
InChI=1S/C10H13NO2/c1-8(11-7-10(12)13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)/t8-/m0/s1
InChI Key:
RFEBVEWGRABHPU-QMMMGPOBSA-N
SMILES:
C[C@@H](c1ccccc1)NCC(=O)O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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