(E)-Methyl 3-(1H-pyrrol-3-yl)acrylate
Basic information
- CAS
352538-45-5- Standard SMILES
COC(=O)/C=C/c1cc[nH]c1- InChIKey
LRGLUDDXROSBIO-NSCUHMNNSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- (E)-Methyl 3-(1H-pyrrol-3-yl)acrylate
- IUPAC
- methyl (E)-3-(1H-pyrrol-3-yl)prop-2-enoate
Names & synonyms
(E)-Methyl 3-(1H-pyrrol-3-yl)acrylateMethyl 3-(1H-pyrrol-3-yl)acrylatemethyl (E)-3-(1H-pyrrol-3-yl)acrylate352538-45-5METHYL (2E)-3-(1H-PYRROL-3-YL)PROP-2-ENOATEmethyl (E)-3-(1H-pyrrol-3-yl)prop-2-enoateSCHEMBL3464031Methyl3-(1H-pyrrol-3-yl)acrylateAKOS016005361DB-3448313-(1h-pyrrol-3-yl)-acrylic acid methyl esterEN300-1455904
Database identifiers
- CAS
352538-45-5- PubChem CID
- 6147243
- EC Number
- 148-852-3
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 42.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
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%)
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Compound notes
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