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823795-50-2 | Cyclobutanol, 1-ethyl-2-methyl-
CAS No: 823795-50-2 Catalog No: AG0053BG MDL No:
Product Description
Catalog Number:
AG0053BG
Chemical Name:
Cyclobutanol, 1-ethyl-2-methyl-
CAS Number:
823795-50-2
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
IUPAC Name:
1-ethyl-2-methylcyclobutan-1-ol
InChI:
InChI=1S/C7H14O/c1-3-7(8)5-4-6(7)2/h6,8H,3-5H2,1-2H3
InChI Key:
DFWYHRDRGPNELK-UHFFFAOYSA-N
SMILES:
CCC1(O)CCC1C
Properties
Complexity:
90.4
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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