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5445-30-7 | 1-Butylcyclohexanol
CAS No: 5445-30-7 Catalog No: AG003EK5 MDL No:MFCD00021404
Product Description
Catalog Number:
AG003EK5
Chemical Name:
1-Butylcyclohexanol
CAS Number:
5445-30-7
Molecular Formula:
C10H20O
Molecular Weight:
156.2652
MDL Number:
MFCD00021404
IUPAC Name:
1-butylcyclohexan-1-ol
InChI:
InChI=1S/C10H20O/c1-2-3-7-10(11)8-5-4-6-9-10/h11H,2-9H2,1H3
InChI Key:
RCHLXMOXBJRGNX-UHFFFAOYSA-N
SMILES:
CCCCC1(O)CCCCC1
NSC Number:
21990
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.151g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.269g/mol
Monoisotopic Mass:
156.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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