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7515-29-9 | 1-Cyclobutylethanol
CAS No: 7515-29-9 Catalog No: AG005658 MDL No:MFCD00061039
Product Description
Catalog Number:
AG005658
Chemical Name:
1-Cyclobutylethanol
CAS Number:
7515-29-9
Molecular Formula:
C6H12O
Molecular Weight:
100.1589
MDL Number:
MFCD00061039
IUPAC Name:
1-cyclobutylethanol
InChI:
InChI=1S/C6H12O/c1-5(7)6-3-2-4-6/h5-7H,2-4H2,1H3
InChI Key:
PFGPCAYJUYSJJS-UHFFFAOYSA-N
SMILES:
CC(C1CCC1)O
Properties
Complexity:
57.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.089g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.161g/mol
Monoisotopic Mass:
100.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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