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Home > Other Heterocycles > 3313-85-7
3313-85-7 | BICYCLO[3.1.0]HEXAN-6-YLMETHANOL, Mixture of diastereomers
CAS No: 3313-85-7 Catalog No: AG01BVZY MDL No:MFCD24138895
Product Description
Catalog Number:
AG01BVZY
Chemical Name:
BICYCLO[3.1.0]HEXAN-6-YLMETHANOL, Mixture of diastereomers
CAS Number:
3313-85-7
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD24138895
IUPAC Name:
6-bicyclo[3.1.0]hexanylmethanol
InChI:
InChI=1S/C7H12O/c8-4-7-5-2-1-3-6(5)7/h5-8H,1-4H2
InChI Key:
WYAHVDWWLAYJOA-UHFFFAOYSA-N
SMILES:
OCC1C2C1CCC2
NSC Number:
249259
Properties
Complexity:
90.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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