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Home > Other Heterocycles > 77143-11-4
77143-11-4 | 3-Buten-2-one, 4-(2,2,6-trimethylbicyclo[4.1.0]hept-1-yl)-, (E)-
CAS No: 77143-11-4 Catalog No: AG005Q75 MDL No:
Product Description
Catalog Number:
AG005Q75
Chemical Name:
3-Buten-2-one, 4-(2,2,6-trimethylbicyclo[4.1.0]hept-1-yl)-, (E)-
CAS Number:
77143-11-4
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
4-(2,2,6-trimethyl-1-bicyclo[4.1.0]heptanyl)but-3-en-2-one
InChI:
InChI=1S/C14H22O/c1-11(15)6-9-14-10-13(14,4)8-5-7-12(14,2)3/h6,9H,5,7-8,10H2,1-4H3
InChI Key:
CJEHWZOFMHIHFC-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/C12CC2(C)CCCC1(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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