Methyl 3-formyl-1H-indole-7-carboxylate

HCID 762965

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Basic information

CAS: 312973-24-3
Standard SMILES: COC(=O)c1cccc2c(C=O)c[nH]c12
InChIKey: JVUPHJBFLSMOGY-UHFFFAOYSA-N
Molecular formula: C11H9NO3
Average molar mass: 203.19 g/mol
Monoisotopic mass: 203.05824315

Names & identifiers

Preferred name: Methyl 3-formyl-1H-indole-7-carboxylate
IUPAC: methyl 3-formyl-1H-indole-7-carboxylate
English name: Methyl3-formyl-1H-indole-7-carboxylate
Molecular formula: C11H9NO3
Molecular weight: 203.19

Names & synonyms

methyl 3-formyl-1H-indole-7-carboxylate312973-24-3DTXSID30354083RefChem:355004DTXCID80305146887-570-13-FORMYLINDOLE-7-CARBOXYLIC ACID METHYL ESTERMFCD00550641methyl 3-formylindole-7-carboxylatemethyl3-formyl-1H-indole-7-carboxylateOprea1_663245SCHEMBL5415543

Show more names

1H-Indole-7-carboxylic acid, 3-forMyl-, Methyl ester

JVUPHJBFLSMOGY-UHFFFAOYSA-NAKOS0015930237-methoxycarbonyl-3-indolcarboxaldehydeCS-W006760PB42511DS-18196SY097851DB-022579

Database identifiers

CAS: 312973-24-3
PubChem CID: 762965
DTXSID: DTXSID30354083
EC Number: 887-570-1

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 59.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 267

Physicochemical properties

Density: 1.341 · 1.341
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Appearance: White to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501