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164921-71-5 | 2-Pentenoic acid, 5-hydroxy-4-(2-methoxyphenyl)-, methyl ester, (2E)-
CAS No: 164921-71-5 Catalog No: AG001V5U MDL No:
Product Description
Catalog Number:
AG001V5U
Chemical Name:
2-Pentenoic acid, 5-hydroxy-4-(2-methoxyphenyl)-, methyl ester, (2E)-
CAS Number:
164921-71-5
Molecular Formula:
C13H16O4
Molecular Weight:
236.2637
IUPAC Name:
methyl 5-hydroxy-4-(2-methoxyphenyl)pent-2-enoate
InChI:
InChI=1S/C13H16O4/c1-16-12-6-4-3-5-11(12)10(9-14)7-8-13(15)17-2/h3-8,10,14H,9H2,1-2H3
InChI Key:
DJZHGDFZOCVUDX-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/C(c1ccccc1OC)CO
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.267g/mol
Monoisotopic Mass:
236.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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