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13139-94-1 | Nonanoic acid, 2-oxo-
CAS No: 13139-94-1 Catalog No: AG000W39 MDL No:MFCD00090783
Product Description
Catalog Number:
AG000W39
Chemical Name:
Nonanoic acid, 2-oxo-
CAS Number:
13139-94-1
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
MDL Number:
MFCD00090783
IUPAC Name:
2-oxononanoic acid
InChI:
InChI=1S/C9H16O3/c1-2-3-4-5-6-7-8(10)9(11)12/h2-7H2,1H3,(H,11,12)
InChI Key:
SHDOPXQMNJDYDK-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)C(=O)O
NSC Number:
90358
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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