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29393-17-7 | 2-Butanone, 3-methyl-4-phenyl-, (3R)-
CAS No: 29393-17-7 Catalog No: AG002Y98 MDL No:
Product Description
Catalog Number:
AG002Y98
Chemical Name:
2-Butanone, 3-methyl-4-phenyl-, (3R)-
CAS Number:
29393-17-7
Molecular Formula:
C11H14O
Molecular Weight:
162.2283
IUPAC Name:
(3R)-3-methyl-4-phenylbutan-2-one
InChI:
InChI=1S/C11H14O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChI Key:
YEHRTTZJTORGJL-SECBINFHSA-N
SMILES:
C[C@@H](C(=O)C)Cc1ccccc1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
162.104g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.232g/mol
Monoisotopic Mass:
162.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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