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84824-82-8 | 2-Propenoic acid,3-[2-(2-methyl-1-oxopropoxy)phenyl]-, ethyl ester
CAS No: 84824-82-8 Catalog No: AG004NEO MDL No:
Product Description
Catalog Number:
AG004NEO
Chemical Name:
2-Propenoic acid,3-[2-(2-methyl-1-oxopropoxy)phenyl]-, ethyl ester
CAS Number:
84824-82-8
Molecular Formula:
C15H18O4
Molecular Weight:
262.3010
IUPAC Name:
[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 2-methylpropanoate
InChI:
InChI=1S/C15H18O4/c1-4-18-14(16)10-9-12-7-5-6-8-13(12)19-15(17)11(2)3/h5-11H,4H2,1-3H3/b10-9+
InChI Key:
SYUQBLIYJBQOHW-MDZDMXLPSA-N
SMILES:
CCOC(=O)C=Cc1ccccc1OC(=O)C(C)C
EC Number:
284-234-0
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
262.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.305g/mol
Monoisotopic Mass:
262.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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