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116218-82-7 | 2-Butenoic acid, 4-(5-acetyl-2-hydroxy-3-methoxyphenyl)-, ethyl ester
CAS No: 116218-82-7 Catalog No: AG000BYI MDL No:
Product Description
Catalog Number:
AG000BYI
Chemical Name:
2-Butenoic acid, 4-(5-acetyl-2-hydroxy-3-methoxyphenyl)-, ethyl ester
CAS Number:
116218-82-7
Molecular Formula:
C15H18O5
Molecular Weight:
278.3004
IUPAC Name:
ethyl 4-(5-acetyl-2-hydroxy-3-methoxyphenyl)but-2-enoate
InChI:
InChI=1S/C15H18O5/c1-4-20-14(17)7-5-6-11-8-12(10(2)16)9-13(19-3)15(11)18/h5,7-9,18H,4,6H2,1-3H3
InChI Key:
VCHIFNYVMKNEPY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=CCc1cc(cc(c1O)OC)C(=O)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.304g/mol
Monoisotopic Mass:
278.115g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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