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168267-03-6 | Benzaldehyde, 2-methoxy-5-(5-methyl-1H-tetrazol-1-yl)-
CAS No: 168267-03-6 Catalog No: AG001XYL MDL No:
Product Description
Catalog Number:
AG001XYL
Chemical Name:
Benzaldehyde, 2-methoxy-5-(5-methyl-1H-tetrazol-1-yl)-
CAS Number:
168267-03-6
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
IUPAC Name:
2-methoxy-5-(5-methyltetrazol-1-yl)benzaldehyde
InChI:
InChI=1S/C10H10N4O2/c1-7-11-12-13-14(7)9-3-4-10(16-2)8(5-9)6-15/h3-6H,1-2H3
InChI Key:
LGWHVLLTRCDFDK-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OC)n1nnnc1C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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