Basic information
- CAS
15057-98-4- Standard SMILES
COc1ccccc1OC(=O)c1cccnc1- InChIKey
KVPUDAXRVGUATI-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- Guaiacol nicotinate
- IUPAC
- (2-methoxyphenyl) pyridine-3-carboxylate
- English name
- GUAIACYL NICOTINATE
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23
Names & synonyms
Guaiacol nicotinate15057-98-42-Methoxyphenyl nicotinate3-Pyridinecarboxylic acid, 2-methoxyphenyl ester0NL78157RREINECS 239-123-1Nicotinic acid, 2-methoxyphenyl esterDTXSID00164575RefChem:782756DTXCID6087066GUAIACYL NICOTINATE(2-methoxyphenyl) pyridine-3-carboxylate
Show more names
3-Pyridinecarboxylic acid 2-methoxyphenyl ester(2R,3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-3-oxanyl]oxy]-6-methyloxane-3,4,5-triol
2-methoxyphenyl pyridine-3-carboxylateUNII-0NL78157RRSCHEMBL29855615SCHEMBL30304968KVPUDAXRVGUATI-UHFFFAOYSA-NAKOS024334823DB-043060NS00024919
Database identifiers
- CAS
15057-98-4- PubChem CID
- 84772
- DTXSID
DTXSID00164575- UNII
- 0NL78157RR
- EC Number
- 239-123-1
- Nikkaji
- J241.380I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- LogP
- 2.44 · 2.440 (est)
- FDA UNII
- 0 NL78157RR · 0NL78157RR
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H317-H318-H315
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H335-H317-H318-H315
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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