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88904-91-0 | 2-Cyclohexen-1-one, 3-ethyl-6-(4-pentynyl)-
CAS No: 88904-91-0 Catalog No: AG0048WH MDL No:
Product Description
Catalog Number:
AG0048WH
Chemical Name:
2-Cyclohexen-1-one, 3-ethyl-6-(4-pentynyl)-
CAS Number:
88904-91-0
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
3-ethyl-6-pent-4-ynylcyclohex-2-en-1-one
InChI:
InChI=1S/C13H18O/c1-3-5-6-7-12-9-8-11(4-2)10-13(12)14/h1,10,12H,4-9H2,2H3
InChI Key:
OIUSSVPFHVVWPA-UHFFFAOYSA-N
SMILES:
CCC1=CC(=O)C(CC1)CCCC#C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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