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Home > Aldehydes > 169789-37-1
169789-37-1 | 5-METHOXY-1H-INDAZOLE-3-CARBALDEHYDE
CAS No: 169789-37-1 Catalog No: AG00AOTV MDL No:MFCD06738288
Product Description
Catalog Number:
AG00AOTV
Chemical Name:
5-METHOXY-1H-INDAZOLE-3-CARBALDEHYDE
CAS Number:
169789-37-1
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD06738288
IUPAC Name:
5-methoxy-2H-indazole-3-carbaldehyde
InChI:
InChI=1S/C9H8N2O2/c1-13-6-2-3-8-7(4-6)9(5-12)11-10-8/h2-5H,1H3,(H,10,11)
InChI Key:
MUSWNKMMIYVNJY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C=O)n[nH]2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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