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4625-24-5

4625-24-5 | 1-methylbicyclo[3.1.0]hexane

CAS No: 4625-24-5 Catalog No: AG0072T0 MDL No:

Product Description

Catalog Number:
AG0072T0
Chemical Name:
1-methylbicyclo[3.1.0]hexane
CAS Number:
4625-24-5
Molecular Formula:
C7H12
Molecular Weight:
96.1702
IUPAC Name:
1-methylbicyclo[3.1.0]hexane
InChI:
InChI=1S/C7H12/c1-7-4-2-3-6(7)5-7/h6H,2-5H2,1H3
InChI Key:
GVMYEQUFGUYMTP-UHFFFAOYSA-N
SMILES:
CC12CCCC2C1

Properties

Complexity:
96.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.094g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.173g/mol
Monoisotopic Mass:
96.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Literature

Title Journal
Kinetics and regioselectivity of ring opening of 1-bicyclo[3.1.0]hexanylmethyl radical. The Journal of organic chemistry 20080215

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