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1167055-32-4 | 1H-Indazole-3-carboxylic acid, 4-formyl-, methyl ester
CAS No: 1167055-32-4 Catalog No: AG000D04 MDL No:
Product Description
Catalog Number:
AG000D04
Chemical Name:
1H-Indazole-3-carboxylic acid, 4-formyl-, methyl ester
CAS Number:
1167055-32-4
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
IUPAC Name:
methyl 4-formyl-1H-indazole-3-carboxylate
InChI:
InChI=1S/C10H8N2O3/c1-15-10(14)9-8-6(5-13)3-2-4-7(8)11-12-9/h2-5H,1H3,(H,11,12)
InChI Key:
SXKLXBRUAYDYJL-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c2c1c(C=O)ccc2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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