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23074-59-1 | 2-Cyclohexen-1-one, 3-(2-methylpropoxy)-
CAS No: 23074-59-1 Catalog No: AG002M5H MDL No:MFCD00143170
Product Description
Catalog Number:
AG002M5H
Chemical Name:
2-Cyclohexen-1-one, 3-(2-methylpropoxy)-
CAS Number:
23074-59-1
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD00143170
IUPAC Name:
3-(2-methylpropoxy)cyclohex-2-en-1-one
InChI:
InChI=1S/C10H16O2/c1-8(2)7-12-10-5-3-4-9(11)6-10/h6,8H,3-5,7H2,1-2H3
InChI Key:
FKJAZODXPHIGOL-UHFFFAOYSA-N
SMILES:
CC(COC1=CC(=O)CCC1)C
EC Number:
245-414-4
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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