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261619-90-3 | Benzenepropanal, 2,3,4-trimethoxy-
CAS No: 261619-90-3 Catalog No: AG002RWY MDL No:
Product Description
Catalog Number:
AG002RWY
Chemical Name:
Benzenepropanal, 2,3,4-trimethoxy-
CAS Number:
261619-90-3
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
3-(2,3,4-trimethoxyphenyl)propanal
InChI:
InChI=1S/C12H16O4/c1-14-10-7-6-9(5-4-8-13)11(15-2)12(10)16-3/h6-8H,4-5H2,1-3H3
InChI Key:
PIPYVDDEXSSEPO-UHFFFAOYSA-N
SMILES:
O=CCCc1ccc(c(c1OC)OC)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:
1.5
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