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20296-07-5 | 2-Butanone, 1-hydroxy-4-phenyl-
CAS No: 20296-07-5 Catalog No: AG0028KV MDL No:
Product Description
Catalog Number:
AG0028KV
Chemical Name:
2-Butanone, 1-hydroxy-4-phenyl-
CAS Number:
20296-07-5
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
IUPAC Name:
1-hydroxy-4-phenylbutan-2-one
InChI:
InChI=1S/C10H12O2/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChI Key:
RWMGQGIAEZVPKY-UHFFFAOYSA-N
SMILES:
OCC(=O)CCc1ccccc1
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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