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89861-37-0 | 4-Pentenoic acid, 2-diazo-5-(4-methoxyphenyl)-3-oxo-, ethyl ester, (E)-
CAS No: 89861-37-0 Catalog No: AG003WQX MDL No:
Product Description
Catalog Number:
AG003WQX
Chemical Name:
4-Pentenoic acid, 2-diazo-5-(4-methoxyphenyl)-3-oxo-, ethyl ester, (E)-
CAS Number:
89861-37-0
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
IUPAC Name:
ethyl 2-diazo-5-(4-methoxyphenyl)-3-oxopent-4-enoate
InChI:
InChI=1S/C14H14N2O4/c1-3-20-14(18)13(16-15)12(17)9-6-10-4-7-11(19-2)8-5-10/h4-9H,3H2,1-2H3
InChI Key:
HAOHMQLMJRKUKJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=[N+]=[N-])C(=O)/C=C/c1ccc(cc1)OC
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.7
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