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1000340-51-1 | 1H-Indazole-3-carboxaldehyde, 7-methyl-
CAS No: 1000340-51-1 Catalog No: AG0000EX MDL No:MFCD09027036
Product Description
Catalog Number:
AG0000EX
Chemical Name:
1H-Indazole-3-carboxaldehyde, 7-methyl-
CAS Number:
1000340-51-1
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD09027036
IUPAC Name:
7-methyl-2H-indazole-3-carbaldehyde
InChI:
InChI=1S/C9H8N2O/c1-6-3-2-4-7-8(5-12)10-11-9(6)7/h2-5H,1H3,(H,10,11)
InChI Key:
ZAOWDKPCEJINJP-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1[nH]nc2C=O
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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