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128781-06-6 | 2-Propenoic acid, 2-azido-3-(3,4,5-trimethoxyphenyl)-, methyl ester
CAS No: 128781-06-6 Catalog No: AG000YDO MDL No:
Product Description
Catalog Number:
AG000YDO
Chemical Name:
2-Propenoic acid, 2-azido-3-(3,4,5-trimethoxyphenyl)-, methyl ester
CAS Number:
128781-06-6
Molecular Formula:
C13H15N3O5
Molecular Weight:
293.2753
IUPAC Name:
methyl 2-azido-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C13H15N3O5/c1-18-10-6-8(7-11(19-2)12(10)20-3)5-9(15-16-14)13(17)21-4/h5-7H,1-4H3
InChI Key:
DXGCTEJSGXDUNK-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(=Cc1cc(OC)c(c(c1)OC)OC)C(=O)OC
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.279g/mol
Monoisotopic Mass:
293.101g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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