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147915-02-4 | 1,2-Butanediol, 3-amino-4-phenyl-, (2S,3S)-
CAS No: 147915-02-4 Catalog No: AG001F9S MDL No:
Product Description
Catalog Number:
AG001F9S
Chemical Name:
1,2-Butanediol, 3-amino-4-phenyl-, (2S,3S)-
CAS Number:
147915-02-4
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
(2S,3S)-3-amino-4-phenylbutane-1,2-diol
InChI:
InChI=1S/C10H15NO2/c11-9(10(13)7-12)6-8-4-2-1-3-5-8/h1-5,9-10,12-13H,6-7,11H2/t9-,10+/m0/s1
InChI Key:
YXQDBEZPBMCYAI-VHSXEESVSA-N
SMILES:
OC[C@H]([C@H](Cc1ccccc1)N)O
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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