CCCCCCCCC(=O)O
CAS: 112-05-0
Name: nonanoic acid
SMILES: CCCCCCCCC(=O)O

Molecular Processing

Molecular formula
C9H18O2
Molecular weight
158.24
Exact mass
158.1307
XLogP
2.82
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
7
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
45.63

Supplementary Information

InChIKey: FBUKVWPVBMHYJY-UHFFFAOYSA-N
Synonyme
NONANOIC ACIDPelargonic acid112-05-0n-Nonanoic acidNonoic acidNonylic acidPelargic acid1-Octanecarboxylic acidn-Nonylic acidn-Nonoic acidPelargonHexacid C-9Cirrasol 185AEmfac 12021-Octanecarboxyic acidFEMA No. 2784DTXSID3021641CHEBI:2901997SEH7577TNSC-62787DTXCID901641NSC62787NSC-65450NSC-65455RefChem:166452203-931-2pergonic acid1-nonanoic acidMFCD00004433Nonansaeure
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