Basic information
- CAS
54274-80-5- Standard SMILES
COC(=O)C1CCC(C=O)CC1- InChIKey
LARSGJZNVQJRMD-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.09429431
Overview
See other relationships...
Names & identifiers
- Preferred name
- Methyl 4-formylcyclohexane-1-carboxylate
- IUPAC
- methyl 4-formylcyclohexane-1-carboxylate
- English name
- (1r,4r)-methyl 4-formylcyclohexanecarboxylate
- Molecular formula
- C9H14O3
- Molecular weight
- 170.21
Names & synonyms
Methyl 4-formylcyclohexane-1-carboxylateDTXSID80969303RefChem:1089469DTXCID40139685854274-80-537942-76-0(1r,4r)-methyl 4-formylcyclohexanecarboxylatemethyl 4-formylcyclohexanecarboxylateMethyl trans-4-Formylcyclohexanecarboxylatetrans-Methyl 4-formylcyclohexanecarboxylate4-FORMYL-CYCLOHEXANECARBOXYLIC ACID METHYL ESTERtrans-4-Formyl-cyclohexanecarboxylic acid methyl ester
Show more names
(E)-Methyl 4-forMylcyclohexanecarboxylateMethyl trans-4-formylcyclohexane-1-carboxylatemethyl(1r,4r)-4-formylcyclohexane-1-carboxylatemethyl Rel-(1r,4r)-4-formylcyclohexane-1-carboxylateItemname-(1R,4R)-Methyl4-formylcyclohexanecarboxylate
MFCD12965033MFCD16659932121317-96-2Cyclohexanecarboxylic acid, 4-formyl-, methyl estermethyl (1r,4r)-4-formylcyclohexane-1-carboxylateRel-methyl (1s,4s)-4-formylcyclohexane-1-carboxylateCyclohexanecarboxylic acid, 4-formyl-, methyl ester, trans-Methyl4-formylcyclohexanecarboxylate
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 236.4 · 236.4±33.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- form
- liquid
- color
- Colourless to light yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2918300090 · 2918300090
Safety & regulation
Safety data
- hs_code
- 2918300090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers91 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
25 records
Compound notes
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