Basic information
- CAS
169376-35-6- Standard SMILES
CCOC(=O)CC(=O)c1ccc[nH]1- InChIKey
GPNOESMCLCQOBG-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate
- IUPAC
- ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate
- English name
- Ethyl-2-pyrroloyl-acetate
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate169376-35-6DTXSID60292287RefChem:343506DTXCID90243429882-478-8ETHYL-2-PYRROLOYL-ACETATEMFCD05863374ethyl 3-oxo-3-(2-pyrrolyl)propanoateNSC81357SCHEMBL5160927UGA37635
Show more names
1H-Pyrrole-2-propanoic acid, β-oxo-, ethyl ester
NSC-81357AKOS006295737SB62488AS-58426SY213094DB-351500SPECS AQ-776/42801181CS-0163120
Database identifiers
- CAS
169376-35-6- PubChem CID
- 255665
- DTXSID
DTXSID60292287- EC Number
- 882-478-8
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-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
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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers16 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海昊锐医药生物科技有限公司021-58388037;21-58388037 13472507714 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
福州福康医药科技有限公司18150835816 · [email protected]
上海锋基医药科技有限公司15555063509 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Huida Pharmaceutical Technology (Shanghai) Co., Ltd.+86-13601750004 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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