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Home > Other Heterocycles > 177540-12-4
177540-12-4 | Bicyclo[3.3.1]non-6-en-3-one, 7-ethyl-
CAS No: 177540-12-4 Catalog No: AG0025E1 MDL No:
Product Description
Catalog Number:
AG0025E1
Chemical Name:
Bicyclo[3.3.1]non-6-en-3-one, 7-ethyl-
CAS Number:
177540-12-4
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
7-ethylbicyclo[3.3.1]non-6-en-3-one
InChI:
InChI=1S/C11H16O/c1-2-8-3-9-5-10(4-8)7-11(12)6-9/h3,9-10H,2,4-7H2,1H3
InChI Key:
JPKQZQSFQDHAIC-UHFFFAOYSA-N
SMILES:
CCC1=CC2CC(C1)CC(=O)C2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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