Basic information
- CAS
52888-73-0- Standard SMILES
COC(=O)c1cc2c(cc1O)CCCC2- InChIKey
YRGJVRHNWPDXMH-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- Methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
- IUPAC
- methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
- English name
- 7-Hydroxytetralin-6-carboxylic acid methyl ester
- Molecular formula
- C12H14O3
- Molecular weight
- 206.24
Names & synonyms
52888-73-0methyl 3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate7-Hydroxytetralin-6-carboxylic acid methyl esterNSC1009653-Hydroxy-5,6,7,8-tetrahydro-2-naphthoic Acid Methyl EsterSCHEMBL2884559DTXSID20967348YRGJVRHNWPDXMH-UHFFFAOYSA-NNSC-100965DB-229636H60201EN300-9540452
Show more names
3-Hydroxy-5,6,7,8-tetrahydro-2-naphthalenecarboxylic acid methyl ester3-Hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid methyl ester2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-3-hydroxy-, methyl ester
Z857280936
Database identifiers
- CAS
52888-73-0- PubChem CID
- 265142
- DTXSID
DTXSID20967348- Nikkaji
- J20.975I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Chemistry & industry
Suppliers3 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
2 records
Compound notes
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