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67014-40-8 | Benzaldehyde, 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-
CAS No: 67014-40-8 Catalog No: AG0064K9 MDL No:
Product Description
Catalog Number:
AG0064K9
Chemical Name:
Benzaldehyde, 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-
CAS Number:
67014-40-8
Molecular Formula:
C12H11N3O3
Molecular Weight:
245.2340
IUPAC Name:
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)benzaldehyde
InChI:
InChI=1S/C12H11N3O3/c1-17-11-13-10(14-12(15-11)18-2)9-5-3-8(7-16)4-6-9/h3-7H,1-2H3
InChI Key:
UDAOZQHEWGYULE-UHFFFAOYSA-N
SMILES:
COc1nc(OC)nc(n1)c1ccc(cc1)C=O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.238g/mol
Monoisotopic Mass:
245.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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