methyl 5-formyl-1H-indazole-3-carboxylate

HCID 24958745
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Basic information

CAS
1033772-29-0
Standard SMILES
COC(=O)c1n[nH]c2ccc(C=O)cc12
InChIKey
DPHPQEMONGPIKA-UHFFFAOYSA-N
Molecular formula
C10H8N2O3
Average molar mass
204.18 g/mol
Monoisotopic mass
204.05349212

Names & identifiers

Preferred name
methyl 5-formyl-1H-indazole-3-carboxylate
IUPAC
methyl 5-formyl-1H-indazole-3-carboxylate
English name
5-Formyl-1H-indazole-3-carboxylic acid methyl ester
Molecular formula
C10H8N2O3
Molecular weight
204.18

Names & synonyms

methyl 5-formyl-1H-indazole-3-carboxylate1033772-29-05-Formyl-1H-indazole-3-carboxylic acid methyl esterMFCD11845632SCHEMBL4436081DTXSID90648071YQF3041DPHPQEMONGPIKA-UHFFFAOYSA-NDB-058987F752095-Formyl-1H-indazole-3-Carbocylic acid methyl ester1H-Indazole-3-carboxylic acid, 5-formyl-, methyl ester

Database identifiers

CAS
1033772-29-0
PubChem CID
24958745
DTXSID
DTXSID90648071

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
72.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15

Physicochemical properties

Boiling point
419.4 · 419.4±25.0 °C(Predicted)
Density
1.411 · 1.411±0.06 g/cm3(Predicted)
pka
10.8 · 10.80±0.40(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers8 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
南京凯姆铂医药科技有限公司025-66162170
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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