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Home > Other Heterocycles > 13837-63-3
13837-63-3 | Bicyclo[4.1.0]hept-2-ene, 4,7,7-trimethyl-, (1S,4R,6R)-
CAS No: 13837-63-3 Catalog No: AG0018NJ MDL No:
Product Description
Catalog Number:
AG0018NJ
Chemical Name:
Bicyclo[4.1.0]hept-2-ene, 4,7,7-trimethyl-, (1S,4R,6R)-
CAS Number:
13837-63-3
Molecular Formula:
C10H16
Molecular Weight:
136.2340
IUPAC Name:
(1S,4R,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-2-ene
InChI:
InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h4-5,7-9H,6H2,1-3H3/t7-,8-,9+/m0/s1
InChI Key:
LGNSZMLHOYDATP-XHNCKOQMSA-N
SMILES:
C[C@H]1C=C[C@H]2[C@@H](C1)C2(C)C
UNII:
DCI18G90AF
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
136.125g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.238g/mol
Monoisotopic Mass:
136.125g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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