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131671-56-2 | 6-Hepten-3-one, 4-ethyl-
CAS No: 131671-56-2 Catalog No: AG000ZK7 MDL No:
Product Description
Catalog Number:
AG000ZK7
Chemical Name:
6-Hepten-3-one, 4-ethyl-
CAS Number:
131671-56-2
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
4-ethylhept-6-en-3-one
InChI:
InChI=1S/C9H16O/c1-4-7-8(5-2)9(10)6-3/h4,8H,1,5-7H2,2-3H3
InChI Key:
SUOMOGSVQCEXBO-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)CC)CC
Properties
Complexity:
116
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:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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