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Home > Other Heterocycles > 88598-06-5
88598-06-5 | Bicyclo[4.1.0]heptane, 3-methoxy-3,7,7-trimethyl-
CAS No: 88598-06-5 Catalog No: AG004CVD MDL No:
Product Description
Catalog Number:
AG004CVD
Chemical Name:
Bicyclo[4.1.0]heptane, 3-methoxy-3,7,7-trimethyl-
CAS Number:
88598-06-5
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
IUPAC Name:
3-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptane
InChI:
InChI=1S/C11H20O/c1-10(2)8-5-6-11(3,12-4)7-9(8)10/h8-9H,5-7H2,1-4H3
InChI Key:
LBYWPODTKQLOJP-UHFFFAOYSA-N
SMILES:
COC1(C)CCC2C(C1)C2(C)C
Properties
Complexity:
197
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:
0
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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