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76335-80-3 | Benzaldehyde, 2,4-dimethoxy-5-(phenylmethoxy)-
CAS No: 76335-80-3 Catalog No: AG0056DV MDL No:
Product Description
Catalog Number:
AG0056DV
Chemical Name:
Benzaldehyde, 2,4-dimethoxy-5-(phenylmethoxy)-
CAS Number:
76335-80-3
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
IUPAC Name:
2,4-dimethoxy-5-phenylmethoxybenzaldehyde
InChI:
InChI=1S/C16H16O4/c1-18-14-9-15(19-2)16(8-13(14)10-17)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3
InChI Key:
ZNAZFWXZKDAEJE-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(cc1OCc1ccccc1)C=O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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