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123976-50-1 | 1,9-Decadien-5-one
CAS No: 123976-50-1 Catalog No: AG000LBK MDL No:
Product Description
Catalog Number:
AG000LBK
Chemical Name:
1,9-Decadien-5-one
CAS Number:
123976-50-1
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
deca-1,9-dien-5-one
InChI:
InChI=1S/C10H16O/c1-3-5-7-9-10(11)8-6-4-2/h3-4H,1-2,5-9H2
InChI Key:
BHJREBRUFKVDEE-UHFFFAOYSA-N
SMILES:
C=CCCCC(=O)CCC=C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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