Basic information
- CAS
86031-42-7- Standard SMILES
COC(=O)c1cccc2c1CCC2- InChIKey
JLWYNZQYVAFNSM-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- Methyl 2,3-dihydro-1H-indene-4-carboxylate
- IUPAC
- methyl 2,3-dihydro-1H-indene-4-carboxylate
- English name
- Methyl 2,3-dihydro-1H-indene-4-carboxylate
- Molecular formula
- C11H12O2
- Molecular weight
- 176.21
Names & synonyms
Methyl 2,3-dihydro-1H-indene-4-carboxylate86031-42-7DTXSID20433715RefChem:353608DTXCID90384543MFCD22536335methyl indane-4-carboxylateSCHEMBL7408640SCHEMBL31305927indan-4-carboxylic acid methyl esterBS-50136Methyl2,3-dihydro-1H-indene-4-carboxylate
Show more names
4-Indancarbonsaeuremethylester1H-Indene-4-carboxylic acid, 2,3-dihydro-, methyl ester
CS-0131571E76241F620362
Database identifiers
- CAS
86031-42-7- PubChem CID
- 9989757
- DTXSID
DTXSID20433715
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 130 · 130-131 °C(Press: 7 Torr)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
Chemistry & industry
Suppliers11 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海摩纹医药科技有限公司13681854265 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
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上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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