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88691-66-1 | 5-Hepten-2-one, 4-ethyl-
CAS No: 88691-66-1 Catalog No: AG0046TQ MDL No:
Product Description
Catalog Number:
AG0046TQ
Chemical Name:
5-Hepten-2-one, 4-ethyl-
CAS Number:
88691-66-1
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
4-ethylhept-5-en-2-one
InChI:
InChI=1S/C9H16O/c1-4-6-9(5-2)7-8(3)10/h4,6,9H,5,7H2,1-3H3
InChI Key:
PZRZEMPOAOYRPC-UHFFFAOYSA-N
SMILES:
CC=CC(CC(=O)C)CC
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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