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Home > Other Heterocycles > 90165-81-4
90165-81-4 | 3-Pentanone, 1-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)-
CAS No: 90165-81-4 Catalog No: AG00H653 MDL No:
Product Description
Catalog Number:
AG00H653
Chemical Name:
3-Pentanone, 1-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)-
CAS Number:
90165-81-4
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
1-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)pentan-3-one
InChI:
InChI=1S/C15H24O/c1-5-13(16)7-6-12-10-11-8-9-15(12,4)14(11,2)3/h6,11H,5,7-10H2,1-4H3
InChI Key:
RAHSEUCBDYYKGZ-UHFFFAOYSA-N
SMILES:
CCC(=O)CC=C1CC2C(C1(C)CC2)(C)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.356g/mol
Monoisotopic Mass:
220.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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