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115509-38-1 | 1H-Cyclopenta[c]pyridin-1-one, 2,5,6,7-tetrahydro-4,7-dimethyl-, (S)- (9CI)
CAS No: 115509-38-1 Catalog No: AG000G2Y MDL No:
Product Description
Catalog Number:
AG000G2Y
Chemical Name:
1H-Cyclopenta[c]pyridin-1-one, 2,5,6,7-tetrahydro-4,7-dimethyl-, (S)- (9CI)
CAS Number:
115509-38-1
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
IUPAC Name:
4,7-dimethyl-2,5,6,7-tetrahydrocyclopenta[c]pyridin-1-one
InChI:
InChI=1S/C10H13NO/c1-6-3-4-8-7(2)5-11-10(12)9(6)8/h5-6H,3-4H2,1-2H3,(H,11,12)
InChI Key:
DJRZPVPMDQUEFS-UHFFFAOYSA-N
SMILES:
C[C@H]1CCc2c1c(=O)[nH]cc2C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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