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39075-26-8 | BENZALDEHYDE, 3,5-DIMETHOXY-4-PROPOXY-
CAS No: 39075-26-8 Catalog No: AG0076L0 MDL No:
Product Description
Catalog Number:
AG0076L0
Chemical Name:
BENZALDEHYDE, 3,5-DIMETHOXY-4-PROPOXY-
CAS Number:
39075-26-8
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
3,5-dimethoxy-4-propoxybenzaldehyde
InChI:
InChI=1S/C12H16O4/c1-4-5-16-12-10(14-2)6-9(8-13)7-11(12)15-3/h6-8H,4-5H2,1-3H3
InChI Key:
VIZFOCNGDABISZ-UHFFFAOYSA-N
SMILES:
CCCOc1c(OC)cc(cc1OC)C=O
EC Number:
620-249-4
Properties
Complexity:
193
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:
2.2
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