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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:143768 - neopentyl glycol
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ChEBI Ontology
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ChEBI Name
neopentyl glycol
ChEBI ID
CHEBI:143768
Definition
A propane-1,3-diol carrying two methyl groups at position 2.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C5H12O2
Net Charge
0
Average Mass
104.149
Monoisotopic Mass
104.08373
InChI
InChI=1S/C5H12O2/c1-5(2,3-6)4-7/h6-7H,3-4H2,1-2H3
InChIKey
SLCVBVWXLSEKPL-UHFFFAOYSA-N
SMILES
OCC(CO)(C)C
ChEBI Ontology
Outgoing
neopentyl glycol (
CHEBI:143768
)
is a
propane-1,3-diols (
CHEBI:26287
)
IUPAC Name
2,2-dimethylpropane-1,3-diol
Synonyms
Sources
1,3-dihydroxy-2,2-dimethylpropane
ChEBI
2,2-dimethyl-1,3-propanediol
NIST Chemistry WebBook
neopentanediol
ChemIDplus
neopentyl glycol
ChemIDplus
neopentylglycol
ChEBI
NPG
ChEBI
NPG glycol
ChEBI
Manual Xref
Database
Neopentyl_glycol
Wikipedia
View more database links
Registry Numbers
Types
Sources
126-30-7
CAS Registry Number
ChemIDplus
126-30-7
CAS Registry Number
NIST Chemistry WebBook
605291
Beilstein Registry Number
Beilstein
Citations
Types
Sources
30918372
PubMed citation
Europe PMC
31000715
PubMed citation
Europe PMC
Last Modified
27 May 2019