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1422-26-0 | Decanoic acid, 9-oxo-
CAS No: 1422-26-0 Catalog No: AG001HYJ MDL No:
Product Description
Catalog Number:
AG001HYJ
Chemical Name:
Decanoic acid, 9-oxo-
CAS Number:
1422-26-0
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
9-oxodecanoic acid
InChI:
InChI=1S/C10H18O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2-8H2,1H3,(H,12,13)
InChI Key:
BYFKKNYEIXWOQO-UHFFFAOYSA-N
SMILES:
CC(=O)CCCCCCCC(=O)O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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