Basic information
- CAS
1260664-03-6- Standard SMILES
O=C(O)c1cnc2c(c1)CCCO2- InChIKey
AECRHVMMLYHHTH-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- 2H,3H,4H-pyrano(2,3-b)pyridine-6-carboxylic acid
- IUPAC
- 3,4-dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid
- English name
- 3,4-Dihydro-2H-pyrano[2,3-b]-pyridine-6-carboxylic acid
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDINE-6-CARBOXYLIC ACID2H,3H,4H-pyrano[2,3-b]pyridine-6-carboxylic acid2H,3H,4H-pyrano(2,3-b)pyridine-6-carboxylic acid3,4-Dihydro-2H-pyrano(2,3-b)pyridine-6-carboxylic acidRefChem:484005893-888-11260664-03-6MFCD182507873,4-Dihydro-2H-pyrano[2,3-b]-pyridine-6-carboxylic acidSCHEMBL17371695DTXSID501208254KAC66403
Show more names
2H-Pyrano[2,3-b]pyridine-6-carboxylic acid, 3,4-dihydro-
AB73657DA-24741CS-0214881H49819EN300-2008972Z12554187463,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDINE-6-CARBOXYLICACID3,4-Dihydro-2H-pyrano[2,3-b]pyridine-6-carboxylic acid, AldrichCPR
Database identifiers
- CAS
1260664-03-6- PubChem CID
- 71299028
- DTXSID
DTXSID501208254- EC Number
- 893-888-1
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 390.4 · 390.4±42.0 °C(Predicted)
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- pka
- 3.9 · 3.90±0.20(Predicted)
- form
- solid
- InChI
- 1S/C9H9NO3/c11-9(12)7-4-6-2-1-3-13-8(6)10-5-7/h4-5H,1-3H2,(H,11,12)
- InChIKey
- AECRHVMMLYHHTH-UHFFFAOYSA-N
- SMILES
- OC(=O)c1cnc2OCCCc2c1
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers5 total
南京后秀医药科技有限公司15252458249 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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