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Home > Other Heterocycles > 84304-13-2
84304-13-2 | Bicyclo[4.1.0]heptane-2-methanol,3,7,7-trimethyl-
CAS No: 84304-13-2 Catalog No: AG004XYJ MDL No:
Product Description
Catalog Number:
AG004XYJ
Chemical Name:
Bicyclo[4.1.0]heptane-2-methanol,3,7,7-trimethyl-
CAS Number:
84304-13-2
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
IUPAC Name:
(3,7,7-trimethyl-2-bicyclo[4.1.0]heptanyl)methanol
InChI:
InChI=1S/C11H20O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h7-10,12H,4-6H2,1-3H3
InChI Key:
HRQKYZLPDOKAFK-UHFFFAOYSA-N
SMILES:
OCC1C(C)CCC2C1C2(C)C
EC Number:
282-699-4
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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