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1000340-59-9 | 1H-Indazole-3-carboxaldehyde, 6,7-dimethyl-
CAS No: 1000340-59-9 Catalog No: AG0000EP MDL No:
Product Description
Catalog Number:
AG0000EP
Chemical Name:
1H-Indazole-3-carboxaldehyde, 6,7-dimethyl-
CAS Number:
1000340-59-9
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
6,7-dimethyl-2H-indazole-3-carbaldehyde
InChI:
InChI=1S/C10H10N2O/c1-6-3-4-8-9(5-13)11-12-10(8)7(6)2/h3-5H,1-2H3,(H,11,12)
InChI Key:
LPEXVEWAEXGBLF-UHFFFAOYSA-N
SMILES:
O=Cc1n[nH]c2c1ccc(c2C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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