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89861-34-7 | 4-Pentenoic acid, 2-diazo-5,5-bis(4-methoxyphenyl)-3-oxo-, ethyl ester
CAS No: 89861-34-7 Catalog No: AG003X21 MDL No:
Product Description
Catalog Number:
AG003X21
Chemical Name:
4-Pentenoic acid, 2-diazo-5,5-bis(4-methoxyphenyl)-3-oxo-, ethyl ester
CAS Number:
89861-34-7
Molecular Formula:
C21H20N2O5
Molecular Weight:
380.3939
IUPAC Name:
ethyl 2-diazo-5,5-bis(4-methoxyphenyl)-3-oxopent-4-enoate
InChI:
InChI=1S/C21H20N2O5/c1-4-28-21(25)20(23-22)19(24)13-18(14-5-9-16(26-2)10-6-14)15-7-11-17(27-3)12-8-15/h5-13H,4H2,1-3H3
InChI Key:
VVXGSFIVGSDKSA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=[N+]=[N-])C(=O)C=C(c1ccc(cc1)OC)c1ccc(cc1)OC
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.137g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.4g/mol
Monoisotopic Mass:
380.137g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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