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3044-56-2 | Benzenepropanoic acid, 3,4,5-trimethoxy-β-oxo-, ethyl ester
CAS No: 3044-56-2 Catalog No: AG00304Y MDL No:MFCD00026908
Product Description
Catalog Number:
AG00304Y
Chemical Name:
Benzenepropanoic acid, 3,4,5-trimethoxy-β-oxo-, ethyl ester
CAS Number:
3044-56-2
Molecular Formula:
C14H18O6
Molecular Weight:
282.2891
MDL Number:
MFCD00026908
IUPAC Name:
ethyl 3-oxo-3-(3,4,5-trimethoxyphenyl)propanoate
InChI:
InChI=1S/C14H18O6/c1-5-20-13(16)8-10(15)9-6-11(17-2)14(19-4)12(7-9)18-3/h6-7H,5,8H2,1-4H3
InChI Key:
VEYNISLTHXQSGU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1cc(OC)c(c(c1)OC)OC
EC Number:
221-251-4
NSC Number:
408031
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.292g/mol
Monoisotopic Mass:
282.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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