Basic information
- CAS
21018-10-0- Standard SMILES
CCCCCOc1ccccc1C(=O)OC- InChIKey
PGMDHIWMVVZDGQ-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- Benzoic acid, o-(pentyloxy)-, methyl ester
- IUPAC
- methyl 2-pentoxybenzoate
- English name
- 2-Pentyloxybenzoic acid methyl ester
- Molecular formula
- C13H18O3
- Molecular weight
- 222.28
Names & synonyms
Benzoic acid, o-(pentyloxy)-, methyl ester21018-10-0DTXSID20342010Benzoic acid, 2-(pentyloxy)-, methyl esterRefChem:327769DTXCID40293090PGMDHIWMVVZDGQ-UHFFFAOYSA-NMethyl 2-(pentyloxy)benzoate2-Pentyloxybenzoic acid methyl esterSCHEMBL6770205SCHEMBL7955078Methyl 2-(pentyloxy)benzoate #
Show more names
BENZOIC ACIC,O-(PENTYLOXY)-,METHYL ESTER
Database identifiers
- CAS
21018-10-0- PubChem CID
- 577759
- DTXSID
DTXSID20342010- Nikkaji
- J129.152A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 203
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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