Benzoic acid, 4-methyl-, [4-(methoxycarbonyl)phenyl]methyl ester
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Basic information
- CAS
55044-52-5- Standard SMILES
COC(=O)c1ccc(COC(=O)c2ccc(C)cc2)cc1- InChIKey
KUNUTDVIDIBBOU-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Names & identifiers
- Preferred name
- Benzoic acid, 4-methyl-, [4-(methoxycarbonyl)phenyl]methyl ester
- IUPAC
- (4-methoxycarbonylphenyl)methyl 4-methylbenzoate
- English name
- [4-(methoxycarbonyl)phenyl]methyl p-toluate
- Molecular formula
- C17H16O4
- Molecular weight
- 284.31
Names & synonyms
(4-Carbomethoxy)benzyl p-toluateBenzoic acid, 4-methyl-, [4-(methoxycarbonyl)phenyl]methyl esterEINECS 259-454-5DTXSID0068997Benzoic acid, 4-methyl-, (4-(methoxycarbonyl)phenyl)methyl esterRefChem:566028DTXCID204183055044-52-5[4-(METHOXYCARBONYL)PHENYL]METHYL P-TOLUATE(4-(Methoxycarbonyl)phenyl)methyl p-toluate[4-(METHOXYCARBONYL)PHENYL]METHYL 4-METHYLBENZOATEDB-237210
Show more names
p-Toluic acid 4-methoxycarbonylbenzyl ester4-Methylbenzoic acid [4-(methoxycarbonyl)phenyl]methyl ester
Methyl 4-(4-methylbenzoyloxy)methylbenzoateNS000332344-(Methoxycarbonyl)benzyl 4-methylbenzoate #
Database identifiers
- CAS
55044-52-5- PubChem CID
- 108658
- DTXSID
DTXSID0068997- EC Number
- 259-454-5
- Nikkaji
- J31.504D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- EPA Substance Registry System
- 4 · Benzoic acid, 4-methyl-, [4-(methoxycarbonyl)phenyl]methyl ester (55044-52-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-methyl-, [4-(methoxycarbonyl)phenyl]methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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