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114568-23-9 | 2-Propenal, 3-(2,6-dimethoxyphenyl)-, (2E)-
CAS No: 114568-23-9 Catalog No: AG000EPR MDL No:
Product Description
Catalog Number:
AG000EPR
Chemical Name:
2-Propenal, 3-(2,6-dimethoxyphenyl)-, (2E)-
CAS Number:
114568-23-9
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
3-(2,6-dimethoxyphenyl)prop-2-enal
InChI:
InChI=1S/C11H12O3/c1-13-10-6-3-7-11(14-2)9(10)5-4-8-12/h3-8H,1-2H3
InChI Key:
IVYUWTPPGFCIMY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1/C=C/C=O)OC
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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