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Home > Other Heterocycles > 7687-31-2
7687-31-2 | {bicyclo[2.1.0]pentan-1-yl}methanol
CAS No: 7687-31-2 Catalog No: AG01BU2H MDL No:MFCD30731114
Product Description
Catalog Number:
AG01BU2H
Chemical Name:
{bicyclo[2.1.0]pentan-1-yl}methanol
CAS Number:
7687-31-2
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
MDL Number:
MFCD30731114
IUPAC Name:
1-bicyclo[2.1.0]pentanylmethanol
InChI:
InChI=1S/C6H10O/c7-4-6-2-1-5(6)3-6/h5,7H,1-4H2
InChI Key:
CDALIZUXEPHQTF-UHFFFAOYSA-N
SMILES:
OCC12CCC2C1
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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