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78386-42-2 | Cyclobutanol, 1-(1-methylethyl)-
CAS No: 78386-42-2 Catalog No: AG005BEJ MDL No:MFCD21788657
Product Description
Catalog Number:
AG005BEJ
Chemical Name:
Cyclobutanol, 1-(1-methylethyl)-
CAS Number:
78386-42-2
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
MDL Number:
MFCD21788657
IUPAC Name:
1-propan-2-ylcyclobutan-1-ol
InChI:
InChI=1S/C7H14O/c1-6(2)7(8)4-3-5-7/h6,8H,3-5H2,1-2H3
InChI Key:
QCLSNAOXCWQKHC-UHFFFAOYSA-N
SMILES:
CC(C1(O)CCC1)C
Properties
Complexity:
82.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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