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253801-04-6 | 1H-Indazole-5-carbaldehyde
CAS No: 253801-04-6 Catalog No: AG007NDJ MDL No:MFCD06738280
Product Description
Catalog Number:
AG007NDJ
Chemical Name:
1H-Indazole-5-carbaldehyde
CAS Number:
253801-04-6
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD06738280
IUPAC Name:
1H-indazole-5-carbaldehyde
InChI:
InChI=1S/C8H6N2O/c11-5-6-1-2-8-7(3-6)4-9-10-8/h1-5H,(H,9,10)
InChI Key:
YJKMYHNMBGQQQZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)cn[nH]2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/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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