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Home > Aldehydes > 673476-31-8
673476-31-8 | Benzaldehyde, 3,5-bis(acetyloxy)-4-(2-pyridinyl)-
CAS No: 673476-31-8 Catalog No: AG0062D3 MDL No:
Product Description
Catalog Number:
AG0062D3
Chemical Name:
Benzaldehyde, 3,5-bis(acetyloxy)-4-(2-pyridinyl)-
CAS Number:
673476-31-8
Molecular Formula:
C16H13NO5
Molecular Weight:
299.2781
IUPAC Name:
(3-acetyloxy-5-formyl-2-pyridin-2-ylphenyl) acetate
InChI:
InChI=1S/C16H13NO5/c1-10(19)21-14-7-12(9-18)8-15(22-11(2)20)16(14)13-5-3-4-6-17-13/h3-9H,1-2H3
InChI Key:
YHQYKRBJGKTMDH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC(=O)C)c(c(c1)OC(=O)C)c1ccccn1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.282g/mol
Monoisotopic Mass:
299.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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