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16555-66-1 | 2-Propenoic acid, 3-(3-ethoxy-4-hydroxyphenyl)-
CAS No: 16555-66-1 Catalog No: AG001W80 MDL No:
Product Description
Catalog Number:
AG001W80
Chemical Name:
2-Propenoic acid, 3-(3-ethoxy-4-hydroxyphenyl)-
CAS Number:
16555-66-1
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
(E)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C11H12O4/c1-2-15-10-7-8(3-5-9(10)12)4-6-11(13)14/h3-7,12H,2H2,1H3,(H,13,14)/b6-4+
InChI Key:
ZWHTWBSYWXSZCD-GQCTYLIASA-N
SMILES:
CCOc1cc(C=CC(=O)O)ccc1O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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