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824975-82-8 | 2-Cyclohexen-1-one, 6-(1-hydroxycyclobutyl)-
CAS No: 824975-82-8 Catalog No: AG004UPQ MDL No:
Product Description
Catalog Number:
AG004UPQ
Chemical Name:
2-Cyclohexen-1-one, 6-(1-hydroxycyclobutyl)-
CAS Number:
824975-82-8
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
6-(1-hydroxycyclobutyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C10H14O2/c11-9-5-2-1-4-8(9)10(12)6-3-7-10/h2,5,8,12H,1,3-4,6-7H2
InChI Key:
QKROGXVJSLUOLG-UHFFFAOYSA-N
SMILES:
O=C1C=CCCC1C1(O)CCC1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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