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70424-76-9 | 3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-3-ENE-2-METHANOL
CAS No: 70424-76-9 Catalog No: AG005IYD MDL No:
Product Description
Catalog Number:
AG005IYD
Chemical Name:
3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPT-3-ENE-2-METHANOL
CAS Number:
70424-76-9
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
(3,7,7-trimethyl-2-bicyclo[4.1.0]hept-3-enyl)methanol
InChI:
InChI=1S/C11H18O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h4,8-10,12H,5-6H2,1-3H3
InChI Key:
QNQLBLWLFHHSMS-UHFFFAOYSA-N
SMILES:
OCC1C(=CCC2C1C2(C)C)C
EC Number:
274-601-3
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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