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101693-57-6 | 2-Cyclopenten-1-one, 4-methyl-4-(4-methylphenyl)-, (4R)-
CAS No: 101693-57-6 Catalog No: AG00058C MDL No:
Product Description
Catalog Number:
AG00058C
Chemical Name:
2-Cyclopenten-1-one, 4-methyl-4-(4-methylphenyl)-, (4R)-
CAS Number:
101693-57-6
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
(4R)-4-methyl-4-(4-methylphenyl)cyclopent-2-en-1-one
InChI:
InChI=1S/C13H14O/c1-10-3-5-11(6-4-10)13(2)8-7-12(14)9-13/h3-8H,9H2,1-2H3/t13-/m0/s1
InChI Key:
JBLBWSFVKVAWRI-ZDUSSCGKSA-N
SMILES:
O=C1C=C[C@](C1)(C)c1ccc(cc1)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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