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English
3-Pentenoic acid, 2-methyl-
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
(3E)-2-methyl-3-pentenoic acid
1 reference
based on heuristic
inferred from SMILES
(3Z)-2-methyl-3-pentenoic acid
1 reference
based on heuristic
inferred from SMILES
mass
114.06807956
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₁₀O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC=CC(C)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)
0 references
InChIKey
NFRJJFMXYKSRPK-UHFFFAOYSA-N
0 references
CAS Registry Number
37674-63-8
1 reference
InChIKey
NFRJJFMXYKSRPK-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=37674-63-8
PubChem CID
61969
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NFRJJFMXYKSRPK-UHFFFAOYSA-N
UniChem compound ID
26290807
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00865878
1 reference
matched by identifier from
InChIKey
InChIKey
NFRJJFMXYKSRPK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70814237
0 references
FL number
08.058
1 reference
quotation
CAS no.: 37674-63-8
(English)
stated in
EFSA database
retrieved
23 January 2021
FL number
08.058
JECFA database ID
2465
0 references
JECFA number
347
1 reference
stated in
Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)
retrieved
13 May 2021
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