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88499-88-1 | 2H-Cyclopenta[b]pyridin-2-one, 1,5,6,7-tetrahydro-3-(phenylmethyl)-
CAS No: 88499-88-1 Catalog No: AG00495G MDL No:
Product Description
Catalog Number:
AG00495G
Chemical Name:
2H-Cyclopenta[b]pyridin-2-one, 1,5,6,7-tetrahydro-3-(phenylmethyl)-
CAS Number:
88499-88-1
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
3-benzyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
InChI:
InChI=1S/C15H15NO/c17-15-13(9-11-5-2-1-3-6-11)10-12-7-4-8-14(12)16-15/h1-3,5-6,10H,4,7-9H2,(H,16,17)
InChI Key:
HPEBLNQTALBOIP-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2CCCc2cc1Cc1ccccc1
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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