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Home > Other Heterocycles > 881014-44-4
881014-44-4 | Bicyclo[2.2.0]hexane, 2-methyl-, (1R,2S,4S)-
CAS No: 881014-44-4 Catalog No: AG004J1Q MDL No:
Product Description
Catalog Number:
AG004J1Q
Chemical Name:
Bicyclo[2.2.0]hexane, 2-methyl-, (1R,2S,4S)-
CAS Number:
881014-44-4
Molecular Formula:
C7H12
Molecular Weight:
96.1702
IUPAC Name:
(1R,2S,4S)-2-methylbicyclo[2.2.0]hexane
InChI:
InChI=1S/C7H12/c1-5-4-6-2-3-7(5)6/h5-7H,2-4H2,1H3/t5-,6-,7+/m0/s1
InChI Key:
NQGRLLHQHNJTOF-LYFYHCNISA-N
SMILES:
C[C@H]1C[C@H]2[C@@H]1CC2
Properties
Complexity:
86
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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