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1315052-42-6 | 2-Butanone, 3-amino-4-hydroxy-, (3S)-
CAS No: 1315052-42-6 Catalog No: AG000ZAX MDL No:
Product Description
Catalog Number:
AG000ZAX
Chemical Name:
2-Butanone, 3-amino-4-hydroxy-, (3S)-
CAS Number:
1315052-42-6
Molecular Formula:
C4H9NO2
Molecular Weight:
103.1198
IUPAC Name:
(3S)-3-amino-4-hydroxybutan-2-one
InChI:
InChI=1S/C4H9NO2/c1-3(7)4(5)2-6/h4,6H,2,5H2,1H3/t4-/m0/s1
InChI Key:
HGPVTSXCIFGEST-BYPYZUCNSA-N
SMILES:
CC(=O)[C@H](CO)N
Properties
Complexity:
72.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
103.063g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
103.121g/mol
Monoisotopic Mass:
103.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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