(2E)-3-(4-Oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)acrylic acid
Basic information
- CAS
386715-45-3- Standard SMILES
O=C(O)/C=C/c1cc2cccc3c2n(c1=O)CC3- InChIKey
LCYDDSSZZRFPCM-SNAWJCMRSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Names & identifiers
- Preferred name
- (2E)-3-(4-Oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)acrylic acid
- IUPAC
- (E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)prop-2-enoic acid
- English name
- (2E)-3-(4-OXO-1,2-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLIN-5-YL)ACRYLICACID
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
(2e)-3-(4-oxo-1,2-dihydro-4h-pyrrolo[3,2,1-ij]quinolin-5-yl)acrylic acid(2E)-3-(4-Oxo-1,2-dihydro-4H-pyrrolo(3,2,1-ij)quinolin-5-yl)acrylic acidRefChem:396510814-029-9386715-45-3(E)-3-(4-oxo-2,4-Dihydro-1H-pyrrolo[3,2,1-ij]quinolin-5-yl)acrylic acidMFCD01567774(E)-3-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-10-yl)prop-2-enoic acid3-(1,2-dihydro-4-oxopyrrolo-[3,2,1-ij]quinolin-5-yl)-(2e)-propenoic acid(E)-3-(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)acrylic acid(2E)-3-(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)prop-2-enoic acid2-propenoic acid, 3-(1,2-dihydro-4-oxo-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)-, (2E)-
Show more names
3-(1,2-Dihydro-4-oxopyrrolo-[3,2,1-ij]quinolin-5-yl)-(2E)-propenoic acid 95+%
HMS521O11DTXSID40420667ALBB-035204SBB042085STK801973AKOS000270643VS-09228CS-0452020
Database identifiers
- CAS
386715-45-3- PubChem CID
- 5702811
- DTXSID
DTXSID40420667- EC Number
- 814-029-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Melting point
- 295 · 295~297℃
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2933998090 · 2933998090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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