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Home > Other Heterocycles > 143291-87-6
143291-87-6 | 2-Propanone, 1-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, (Z)-
CAS No: 143291-87-6 Catalog No: AG006W6V MDL No:
Product Description
Catalog Number:
AG006W6V
Chemical Name:
2-Propanone, 1-(3,3-dimethylbicyclo[2.2.1]hept-2-ylidene)-, (Z)-
CAS Number:
143291-87-6
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
1-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)propan-2-one
InChI:
InChI=1S/C12H18O/c1-8(13)6-11-9-4-5-10(7-9)12(11,2)3/h6,9-10H,4-5,7H2,1-3H3
InChI Key:
XALOCGICVJIHMO-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C\1/C2CCC(C1(C)C)C2
Properties
Complexity:
273
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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