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115413-63-3 | Cyclopropane, (1-butylpentylidene)-
CAS No: 115413-63-3 Catalog No: AG000FY2 MDL No:
Product Description
Catalog Number:
AG000FY2
Chemical Name:
Cyclopropane, (1-butylpentylidene)-
CAS Number:
115413-63-3
Molecular Formula:
C12H22
Molecular Weight:
166.3031
IUPAC Name:
nonan-5-ylidenecyclopropane
InChI:
InChI=1S/C12H22/c1-3-5-7-11(8-6-4-2)12-9-10-12/h3-10H2,1-2H3
InChI Key:
GRYSQKBOAQGXEC-UHFFFAOYSA-N
SMILES:
CCCCC(=C1CC1)CCCC
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.172g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.308g/mol
Monoisotopic Mass:
166.172g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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