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Home > Other Heterocycles > 917906-14-0
917906-14-0 | 2-Buten-1-one, 1-bicyclo[2.2.1]hept-2-yl-3-methyl-
CAS No: 917906-14-0 Catalog No: AG006N3Y MDL No:
Product Description
Catalog Number:
AG006N3Y
Chemical Name:
2-Buten-1-one, 1-bicyclo[2.2.1]hept-2-yl-3-methyl-
CAS Number:
917906-14-0
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
1-(2-bicyclo[2.2.1]heptanyl)-3-methylbut-2-en-1-one
InChI:
InChI=1S/C12H18O/c1-8(2)5-12(13)11-7-9-3-4-10(11)6-9/h5,9-11H,3-4,6-7H2,1-2H3
InChI Key:
IQQDBTFACNRLML-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)C1CC2CC1CC2)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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