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Reference substances

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IUPAC name:
neodecanoic acid

Inventory

EC number:
248-093-9
EC name:
Neodecanoic acid
CAS number:
26896-20-8
CAS number:
26896-20-8
Synonyms
Names:
Neodecanoic acid
Identifier:
IUPAC name
2-ethyl-2,5-dimethylhexanoic acid
Identifier:
IUPAC name
7,7-dimethyloctanoic acid
Identifier:
other: SMILES notation
CC(C)(C)CCCCCC(=O)O
Identifier:
other: InChl
InChI=1/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)
Identifier:
other: InChl
InChI=1S/C10H20O2/c1-10(2,3)8-6-4-5-7-9(11)12/h4-8H2,1-3H3,(H,11,12)
Identifier:
other:
Neo-decanoic acid

Molecular and structural information

Molecular formula:
C10H20O2
Molecular weight:
172.26
SMILES notation:
CCC(C)(CCC(C)C)C(=O)O
InChl:
1/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
26896-20-8