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4-Butylbenzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
178.099379688
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₄O₂
0 references
canonical SMILES
CCCCC1=CC=C(C=C1)C(=O)O
0 references
melting point
107.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)
0 references
InChIKey
JFKUBRAOUZEZSL-UHFFFAOYSA-N
0 references
CAS Registry Number
20651-71-2
1 reference
InChIKey
JFKUBRAOUZEZSL-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=20651-71-2
PubChem CID
88631
0 references
SureChEMBL ID
SCHEMBL181230
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JFKUBRAOUZEZSL-UHFFFAOYSA-N
UniChem compound ID
305953
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID8066638
0 references
DSSTOX compound identifier
DTXCID3036361
0 references
EC number
243-940-9
0 references
ECHA Substance Infocard ID
100.039.931
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.039.931
retrieved
29 December 2019
title
4-butylbenzoic acid
(English)
quotation
CAS no.: 20651-71-2
(English)
UNII
7QP4538G5R
1 reference
matched by identifier from
InChIKey
InChIKey
JFKUBRAOUZEZSL-UHFFFAOYSA-N
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