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4514-03-8 | 1,2,3,5-Tetrahydro-4H-cyclopenta[c]quinolin-4-one
CAS No: 4514-03-8 Catalog No: AG00I8HN MDL No:MFCD05258143
Product Description
Catalog Number:
AG00I8HN
Chemical Name:
1,2,3,5-Tetrahydro-4H-cyclopenta[c]quinolin-4-one
CAS Number:
4514-03-8
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD05258143
IUPAC Name:
1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
InChI:
InChI=1S/C12H11NO/c14-12-10-6-3-5-8(10)9-4-1-2-7-11(9)13-12/h1-2,4,7H,3,5-6H2,(H,13,14)
InChI Key:
ZTENSGGVNTZUPT-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2c2c1CCC2
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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