Basic information
- CAS
34861-81-9- Standard SMILES
CCOC(=O)CC(C(=O)OCC)c1ccccc1- InChIKey
JVQDNCKPHSZFSO-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050906
Names & identifiers
- Preferred name
- Diethyl 2-phenylbutanedioate
- IUPAC
- diethyl 2-phenylbutanedioate
- English name
- diethyl 2-phenylbutanedioate
- Molecular formula
- C14H18O4
- Molecular weight
- 250.29
Names & synonyms
diethyl 2-phenylbutanedioate34861-81-9DTXSID00290222RefChem:337848DTXCID30241368diethyl 2-phenylsuccinateButanedioic acid,2-phenyl-, 1,4-diethyl esterNSC67401diethylphenyl succinateSCHEMBL1244623NSC-67401DA-34867
Show more names
Butanedioic acid, 2-phenyl-, 1,4-diethyl ester
Database identifiers
- CAS
34861-81-9- PubChem CID
- 249294
- DTXSID
DTXSID00290222- Nikkaji
- J167.564H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
上海凯米莱铂生物科技有限公司18116465878 · [email protected]
郓城恒立生物科技有限公司15552097599 · [email protected]
Related reactions
2 records
Compound notes
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