Basic information
- CAS
6566-40-1- Standard SMILES
O=C1CC(C(=O)O)Cc2ccccc21- InChIKey
UYNMKOITXUEVCZ-UHFFFAOYSA-N- Molecular formula
- C11H10O3
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.06299418
Names & identifiers
- Preferred name
- 4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
- IUPAC
- 4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid
- English name
- 4-Oxo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid
- Molecular formula
- C11H10O3
- Molecular weight
- 190.2
Names & synonyms
6566-40-14-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acidMFCD021131574-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid1,2,3,4-Tetrahydro-4-oxonaphthalene-2-carboxylic acid4-OXO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-NSC100752-carboxy-4-tetralone4-Oxo-1,2,3,4-tetrahydro-[2]naphthoesaeure(2R)-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acidSCHEMBL1992671
Show more names
4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid - [AC78564]
1,2,3,4-tetrahydro-4-oxo-2-Naphthalenecarboxylic acid4-oxotetralin-2-carboxylic acidUYNMKOITXUEVCZ-UHFFFAOYSA-NDTXSID901036386GAA56640NSC-10075AKOS004908807SB47720
Database identifiers
- CAS
6566-40-1- PubChem CID
- 222964
- DTXSID
DTXSID901036386
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 143 · 143-145 °C
- Boiling point
- 218 · 218-220 °C(Press: 16 Torr)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.19 · 4.19±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers20 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
上海兴默生物技术有限公司+86 13524779951; 13524779951 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
Related reactions
4 records
Compound notes
Loading…