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7520-70-9 | 3,4,5-Trimethoxy-2'-cyano-di-hydrocinnamaldehyde Dimethylacetal
CAS No: 7520-70-9 Catalog No: AG005CVQ MDL No:
Product Description
Catalog Number:
AG005CVQ
Chemical Name:
3,4,5-Trimethoxy-2'-cyano-di-hydrocinnamaldehyde Dimethylacetal
CAS Number:
7520-70-9
Molecular Formula:
C15H21NO5
Molecular Weight:
295.3309
IUPAC Name:
3,3-dimethoxy-2-[(3,4,5-trimethoxyphenyl)methyl]propanenitrile
InChI:
InChI=1S/C15H21NO5/c1-17-12-7-10(8-13(18-2)14(12)19-3)6-11(9-16)15(20-4)21-5/h7-8,11,15H,6H2,1-5H3
InChI Key:
YJLVEDBQYCETMX-UHFFFAOYSA-N
SMILES:
COC(C(Cc1cc(OC)c(c(c1)OC)OC)C#N)OC
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.335g/mol
Monoisotopic Mass:
295.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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