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139618-42-1 | 2-Cyclopenten-1-one, 3,4-dimethyl-4-(3-methylphenyl)-, (S)- (9CI)
CAS No: 139618-42-1 Catalog No: AG001BEB MDL No:
Product Description
Catalog Number:
AG001BEB
Chemical Name:
2-Cyclopenten-1-one, 3,4-dimethyl-4-(3-methylphenyl)-, (S)- (9CI)
CAS Number:
139618-42-1
Molecular Formula:
C14H16O
Molecular Weight:
200.2762
IUPAC Name:
3,4-dimethyl-4-(3-methylphenyl)cyclopent-2-en-1-one
InChI:
InChI=1S/C14H16O/c1-10-5-4-6-12(7-10)14(3)9-13(15)8-11(14)2/h4-8H,9H2,1-3H3
InChI Key:
LXZHZONSXZNLFI-UHFFFAOYSA-N
SMILES:
O=C1C=C([C@@](C1)(C)c1cccc(c1)C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.12g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.281g/mol
Monoisotopic Mass:
200.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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