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Home > Other Heterocycles > 74499-58-4
74499-58-4 | Bicyclo[4.1.0]heptan-3-one,4,7,7-trimethyl-2-(3-methyl-2-buten-1-yl)-
CAS No: 74499-58-4 Catalog No: AG005JOP MDL No:
Product Description
Catalog Number:
AG005JOP
Chemical Name:
Bicyclo[4.1.0]heptan-3-one,4,7,7-trimethyl-2-(3-methyl-2-buten-1-yl)-
CAS Number:
74499-58-4
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
4,7,7-trimethyl-2-(3-methylbut-2-enyl)bicyclo[4.1.0]heptan-3-one
InChI:
InChI=1S/C15H24O/c1-9(2)6-7-11-13-12(15(13,4)5)8-10(3)14(11)16/h6,10-13H,7-8H2,1-5H3
InChI Key:
HCRHVSPDKOSFIT-UHFFFAOYSA-N
SMILES:
CC(=CCC1C(=O)C(C)CC2C1C2(C)C)C
EC Number:
277-895-1
Properties
Complexity:
333
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:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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