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90165-82-5 | 2-Butanone, 3-methyl-4-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)-
CAS No: 90165-82-5 Catalog No: AG00H652 MDL No:
Product Description
Catalog Number:
AG00H652
Chemical Name:
2-Butanone, 3-methyl-4-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)-
CAS Number:
90165-82-5
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
3-methyl-4-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)butan-2-one
InChI:
InChI=1S/C15H24O/c1-10(11(2)16)8-13-9-12-6-7-15(13,5)14(12,3)4/h8,10,12H,6-7,9H2,1-5H3
InChI Key:
BEQDLEPQLVPMLQ-UHFFFAOYSA-N
SMILES:
CC(=O)C(C=C1CC2C(C1(C)CC2)(C)C)C
Properties
Complexity:
350
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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