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67338-10-7 | 4a,8a-Methanoisoquinolin-3(4H)-one, 1,2-dihydro-
CAS No: 67338-10-7 Catalog No: AG005P2Q MDL No:
Product Description
Catalog Number:
AG005P2Q
Chemical Name:
4a,8a-Methanoisoquinolin-3(4H)-one, 1,2-dihydro-
CAS Number:
67338-10-7
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
IUPAC Name:
3-azatricyclo[4.4.1.01,6]undeca-7,9-dien-4-one
InChI:
InChI=1S/C10H11NO/c12-8-5-9-3-1-2-4-10(9,6-9)7-11-8/h1-4H,5-7H2,(H,11,12)
InChI Key:
NXPXAQOBDMDJEN-UHFFFAOYSA-N
SMILES:
O=C1NCC23C(C1)(C=CC=C3)C2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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