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Home > Other Heterocycles > 161395-29-5
161395-29-5 | Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-4-(1-methylethenyl)-
CAS No: 161395-29-5 Catalog No: AG001SF1 MDL No:
Product Description
Catalog Number:
AG001SF1
Chemical Name:
Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-4-(1-methylethenyl)-
CAS Number:
161395-29-5
Molecular Formula:
C13H20
Molecular Weight:
176.2979
IUPAC Name:
3,7,7-trimethyl-4-prop-1-en-2-ylbicyclo[4.1.0]hept-3-ene
InChI:
InChI=1S/C13H20/c1-8(2)10-7-12-11(6-9(10)3)13(12,4)5/h11-12H,1,6-7H2,2-5H3
InChI Key:
PVUBPUSDYAGBLW-UHFFFAOYSA-N
SMILES:
CC(=C)C1=C(C)CC2C(C1)C2(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.157g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.303g/mol
Monoisotopic Mass:
176.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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