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13045-13-1 | 2-Pentanone, 3-chloro-5-hydroxy-
CAS No: 13045-13-1 Catalog No: AG000UFS MDL No:MFCD00087535
Product Description
Catalog Number:
AG000UFS
Chemical Name:
2-Pentanone, 3-chloro-5-hydroxy-
CAS Number:
13045-13-1
Molecular Formula:
C5H9ClO2
Molecular Weight:
136.5768
MDL Number:
MFCD00087535
IUPAC Name:
3-chloro-5-hydroxypentan-2-one
InChI:
InChI=1S/C5H9ClO2/c1-4(8)5(6)2-3-7/h5,7H,2-3H2,1H3
InChI Key:
FYWDUQCSMYWUHV-UHFFFAOYSA-N
SMILES:
CC(=O)C(CCO)Cl
Properties
Complexity:
82.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.029g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.575g/mol
Monoisotopic Mass:
136.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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