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Home > Other Heterocycles > 1383823-45-7
1383823-45-7 | {bicyclo[4.1.0]heptan-3-yl}methanol
CAS No: 1383823-45-7 Catalog No: AG01C44G MDL No:MFCD29763003
Product Description
Catalog Number:
AG01C44G
Chemical Name:
{bicyclo[4.1.0]heptan-3-yl}methanol
CAS Number:
1383823-45-7
Molecular Formula:
C8H14O
Molecular Weight:
126.1962
MDL Number:
MFCD29763003
IUPAC Name:
3-bicyclo[4.1.0]heptanylmethanol
InChI:
InChI=1S/C8H14O/c9-5-6-1-2-7-4-8(7)3-6/h6-9H,1-5H2
InChI Key:
BVPIKJOUCKPVHU-UHFFFAOYSA-N
SMILES:
OCC1CCC2C(C1)C2
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.104g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.199g/mol
Monoisotopic Mass:
126.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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