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Home > Aldehydes > 1000340-55-5
1000340-55-5 | 1H-Indazole-3-carboxaldehyde, 5-methoxy-7-methyl-
CAS No: 1000340-55-5 Catalog No: AG0000ET MDL No:MFCD09027037
Product Description
Catalog Number:
AG0000ET
Chemical Name:
1H-Indazole-3-carboxaldehyde, 5-methoxy-7-methyl-
CAS Number:
1000340-55-5
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD09027037
IUPAC Name:
5-methoxy-7-methyl-2H-indazole-3-carbaldehyde
InChI:
InChI=1S/C10H10N2O2/c1-6-3-7(14-2)4-8-9(5-13)11-12-10(6)8/h3-5H,1-2H3,(H,11,12)
InChI Key:
SDNDPPDERRTXAF-UHFFFAOYSA-N
SMILES:
COc1cc(C)c2c(c1)c(C=O)n[nH]2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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