(1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid
Basic information
- CAS
15177-66-9- Standard SMILES
CCOC(=O)C1CCC(C(=O)O)CC1- InChIKey
FAFFYFMLKGDSEQ-UHFFFAOYSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Names & identifiers
- Preferred name
- (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid
- IUPAC
- 4-ethoxycarbonylcyclohexane-1-carboxylic acid
- English name
- (1r,4r)-4-(ethoxycarbonyl)cyclohexanecarboxylic acid
- Molecular formula
- C10H16O4
- Molecular weight
- 200.23
Names & synonyms
15177-66-9(1R,4R)-4-(ETHOXYCARBONYL)CYCLOHEXANECARBOXYLIC ACID4-ethoxycarbonylcyclohexane-1-carboxylic acid4-(ethoxycarbonyl)cyclohexanecarboxylic acidMFCD12407187trans-4-ethoxycarbonylcyclohexanecarboxylic acidMonoethyl trans-1,4-cyclohexanedicarboxylate(1r,4r)-4-(ethoxycarbonyl)cyclohexane-1-carboxylic acidNSC167504orb3177034SCHEMBL1296409SCHEMBL8485910
Show more names
1-Ethyl trans-1,4-cyclohexanedicarboxylatetrans-1,4-cyclohexanedimacetic acidethyl estertrans-1,4-Cyclohexanedicarboxylic acid monoethyl ester1,4-Cyclohexanedicarboxylic acid, 1-ethyl ester, trans-
DTXSID50304828AKOS015843390AKOS015999881NSC-167504SB463124-ethoxycarbonylcyclohexanecarboxylic acidAS-68971SY543341
Database identifiers
- CAS
15177-66-9- PubChem CID
- 296933
- DTXSID
DTXSID50304828
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 317.428 · 317.428±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.159 · 1.159±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.678 · 4.678±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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