HCID640310

methyl 4-formyl-1H-pyrrole-2-carboxylate

C7H7NO3153.14 g/molCAS 40611-79-8

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IDENTITY

结构与身份

标准 SMILES: COC(=O)c1cc(C=O)c[nH]1
InChIKey: MIBDQVZPRVDXQP-UHFFFAOYSA-N
分子式: C7H7NO3
平均分子量: 153.14 g/mol
单同位素质量: 153.04259309

COMPUTED

结构计算性质

已同步

XLogP: 0.4
极性表面积: 59.2 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 11
形式电荷: 0
复杂度: 169

GHS

GHS 分类

来源：PubChem

GHS Classification

Warning

H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Skin Sens. 1 (97.5%)

ALIASES

名称与别名

共 25 条

methyl 4-formyl-1H-pyrrole-2-carboxylate40611-79-81H-pyrrole-2-carboxylic acid, 4-formyl-, methyl esterDTXSID60348718RefChem:157614DTXCID00299790695-472-3InChI=1/C7H7NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h2-4,8H,1HMFCD02179575methyl 4-formylpyrrole-2-carboxylate1H-Pyrrole-2-carboxylicacid,4-formyl-,methylester(9CI)4-formyl-1H-pyrrole-2-carboxylic acid methyl esterSCHEMBL1003723MIBDQVZPRVDXQP-UHFFFAOYSA-NAKOS005071900BC-0808SB62444Methyl4-Formyl-1H-pyrrole-2-carboxylateSY064965DB-070058

REACTIONS