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16493-04-2 | 2-Cyclohexen-1-one, 3-butoxy-
CAS No: 16493-04-2 Catalog No: AG001V63 MDL No:MFCD00190682
Product Description
Catalog Number:
AG001V63
Chemical Name:
2-Cyclohexen-1-one, 3-butoxy-
CAS Number:
16493-04-2
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD00190682
IUPAC Name:
3-butoxycyclohex-2-en-1-one
InChI:
InChI=1S/C10H16O2/c1-2-3-7-12-10-6-4-5-9(11)8-10/h8H,2-7H2,1H3
InChI Key:
HQFGJBVERCJECK-UHFFFAOYSA-N
SMILES:
CCCCOC1=CC(=O)CCC1
EC Number:
240-557-9
Properties
Complexity:
182
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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