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89450-48-6 | 2-Cyclopenten-1-one, 2-(dimethylamino)-3-methyl-
CAS No: 89450-48-6 Catalog No: AG0044E6 MDL No:
Product Description
Catalog Number:
AG0044E6
Chemical Name:
2-Cyclopenten-1-one, 2-(dimethylamino)-3-methyl-
CAS Number:
89450-48-6
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
IUPAC Name:
2-(dimethylamino)-3-methylcyclopent-2-en-1-one
InChI:
InChI=1S/C8H13NO/c1-6-4-5-7(10)8(6)9(2)3/h4-5H2,1-3H3
InChI Key:
KVHPFBJCYGBYCE-UHFFFAOYSA-N
SMILES:
CN(C1=C(C)CCC1=O)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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