CAS
941672-66-8 Purity
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941672-66-8 Purity
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Benzoic acid,3,5-bis(1-methylethoxy)-,methyl ester
CAS
94169-62-7
Catalog Number
ACM94169627
Category
Other Products
Molecular Weight
252.3062
Molecular Formula
C14H20O4
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Specification
Synonyms
METHYL 3,5-DIISOPROPYLOXYBENZOATE
IUPAC Name
methyl 3,5-di(propan-2-yloxy)benzoate
Canonical SMILES
CC(C)OC1=CC(=CC(=C1)C(=O)OC)OC(C)C
InChI Key
IENVJGGBZFULPX-UHFFFAOYSA-N
Boiling Point
344.2ºC at 760 mmHg
Flash Point
148.8ºC
Density
1.042 g/cm³
Exact Mass
252.13600
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of Benzoic acid, 3,5-bis(1-methylethoxy)-, methyl ester?
Molecular formula: C14H20O4
When was Benzoic acid, 3,5-bis(1-methylethoxy)-, methyl ester created according to PubChem?
Created on: 2009-05-28
What is the IUPAC name of Benzoic acid, 3,5-bis(1-methylethoxy)-, methyl ester?
IUPAC Name: methyl 3,5-di(propan-2-yloxy)benzoate
What is the molecular weight of Benzoic acid, 3,5-bis(1-methylethoxy)-, methyl ester?
Molecular Weight: 252.31 g/mol
What is the Canonical SMILES of Benzoic acid, 3,5-bis(1-methylethoxy)-, methyl ester?
Canonical SMILES: CC(C)OC1=CC(=CC(=C1)C(=O)OC)OC(C)C
What is the InChIKey of Benzoic acid, 3,5-bis(1-methylethoxy)-, methyl ester?
InChIKey: IENVJGGBZFULPX-UHFFFAOYSA-N
What is the CAS identifier for Benzoic acid, 3,5-bis(1-methylethoxy)-, methyl ester?
CAS: 94169-62-7
What is the XLogP3 value of Benzoic acid, 3,5-bis(1-methylethoxy)-, methyl ester?
XLogP3 value: 3.7
How many hydrogen bond acceptor counts does Benzoic acid, 3,5-bis(1-methylethoxy)-, methyl ester have?
Hydrogen Bond Acceptor Count: 4
Is the compound of Benzoic acid, 3,5-bis(1-methylethoxy)-, methyl ester canonicalized?
Compound Is Canonicalized: Yes
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