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114515-53-6 | 2-Propenoic acid, 3-(2-hydroxy-4,5-dimethoxyphenyl)-, (E)- (9CI)
CAS No: 114515-53-6 Catalog No: AG000EML MDL No:
Product Description
Catalog Number:
AG000EML
Chemical Name:
2-Propenoic acid, 3-(2-hydroxy-4,5-dimethoxyphenyl)-, (E)- (9CI)
CAS Number:
114515-53-6
Molecular Formula:
C11H12O5
Molecular Weight:
224.2100
IUPAC Name:
3-(2-hydroxy-4,5-dimethoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H12O5/c1-15-9-5-7(3-4-11(13)14)8(12)6-10(9)16-2/h3-6,12H,1-2H3,(H,13,14)
InChI Key:
LYDZYAHLGQIXNM-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/C(=O)O)c(cc1OC)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.212g/mol
Monoisotopic Mass:
224.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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