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90132-21-1 | Benzaldehyde, 3,4-diethoxy-5-methoxy-
CAS No: 90132-21-1 Catalog No: AG006J3X MDL No:
Product Description
Catalog Number:
AG006J3X
Chemical Name:
Benzaldehyde, 3,4-diethoxy-5-methoxy-
CAS Number:
90132-21-1
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
3,4-diethoxy-5-methoxybenzaldehyde
InChI:
InChI=1S/C12H16O4/c1-4-15-11-7-9(8-13)6-10(14-3)12(11)16-5-2/h6-8H,4-5H2,1-3H3
InChI Key:
HUHOZJIQNQMIQX-UHFFFAOYSA-N
SMILES:
CCOc1cc(C=O)cc(c1OCC)OC
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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