Basic information
- CAS
6843-89-6- Standard SMILES
CCOC(=O)c1c(O)cc2ccccc2c1O- InChIKey
JNVQTZHEEIATCI-UHFFFAOYSA-N- Molecular formula
- C13H12O4
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.07355886
Names & identifiers
- Preferred name
- Ethyl 1,3-dihydroxynaphthalene-2-carboxylate
- IUPAC
- ethyl 1,3-dihydroxynaphthalene-2-carboxylate
- English name
- Ethyl-1,3-dihydroxy-2-naphtoate
- Molecular formula
- C13H12O4
- Molecular weight
- 232.23
Names & synonyms
6843-89-6ethyl 1,3-dihydroxy-2-naphthoate1,3-Dihydroxy-2-naphthalenecarboxylic acid ethyl esterethyl 1,3-dihydroxynaphthalene-2-carboxylate1,3-dihydroxy-naphthalene-2-carboxylic acid ethyl esterMFCD004516822-Naphthalenecarboxylic acid, 1,3-dihydroxy-, ethyl esterEthyl-1,3-dihydroxy-2-naphtoateEthyl 1,3-dihydroxy-2-naphthalenecarboxylateEthyl1,3-Dihydroxy-2-naphthoateNSC68182Oprea1_139550
Show more names
CBDivE_007465F0118-0027SCHEMBL1127490DTXSID80290341Ethyl 13-Dihydroxy-2-naphthoateJNVQTZHEEIATCI-UHFFFAOYSA-NHMS1578I13NSC-68182
Database identifiers
- CAS
6843-89-6- PubChem CID
- 249648
- DTXSID
DTXSID80290341- Nikkaji
- J1.209.499J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Melting point
- 82 °C · 82 °C
- Boiling point
- 375.5 · 375.5±22.0 °C(Predicted)
- Density
- 1.328 · 1.328±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 7.47 · 7.47±0.50(Predicted)
- Appearance
- white solid
- 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
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers34 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
安徽勇晟医药科技有限公司3307 18017383231 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
杭州东帆化学有限公司86-0571-85151182
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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