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4448-75-3 | Cycloheptanemethanol
CAS No: 4448-75-3 Catalog No: AG003P47 MDL No:MFCD00004154
Product Description
Catalog Number:
AG003P47
Chemical Name:
Cycloheptanemethanol
CAS Number:
4448-75-3
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD00004154
IUPAC Name:
cycloheptylmethanol
InChI:
InChI=1S/C8H16O/c9-7-8-5-3-1-2-4-6-8/h8-9H,1-7H2
InChI Key:
BMCQFFXPECPDPS-UHFFFAOYSA-N
SMILES:
OCC1CCCCCC1
EC Number:
224-691-5
Properties
Complexity:
63
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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