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87020-26-6 | 2-Cyclohexen-1-one, 3-methyl-2-(3-pentenyl)-
CAS No: 87020-26-6 Catalog No: AG004K32 MDL No:
Product Description
Catalog Number:
AG004K32
Chemical Name:
2-Cyclohexen-1-one, 3-methyl-2-(3-pentenyl)-
CAS Number:
87020-26-6
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
3-methyl-2-pent-3-enylcyclohex-2-en-1-one
InChI:
InChI=1S/C12H18O/c1-3-4-5-8-11-10(2)7-6-9-12(11)13/h3-4H,5-9H2,1-2H3
InChI Key:
UYEFBIPUYODTRW-UHFFFAOYSA-N
SMILES:
CC=CCCC1=C(C)CCCC1=O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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