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113450-87-6

113450-87-6 | 2-Butenoic acid, 4-oxo-4-(2,3,4,5,6-pentamethylphenyl)-, ethyl ester

CAS No: 113450-87-6 Catalog No: AG0008ML MDL No:

Product Description

Catalog Number:
AG0008ML
Chemical Name:
2-Butenoic acid, 4-oxo-4-(2,3,4,5,6-pentamethylphenyl)-, ethyl ester
CAS Number:
113450-87-6
Molecular Formula:
C17H22O3
Molecular Weight:
274.3548
IUPAC Name:
ethyl 4-oxo-4-(2,3,4,5,6-pentamethylphenyl)but-2-enoate
InChI:
InChI=1S/C17H22O3/c1-7-20-16(19)9-8-15(18)17-13(5)11(3)10(2)12(4)14(17)6/h8-9H,7H2,1-6H3
InChI Key:
HAJUURKPOBXIJT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=CC(=O)c1c(C)c(C)c(c(c1C)C)C

Properties

Complexity:
370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.157g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.36g/mol
Monoisotopic Mass:
274.157g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.9  

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