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114968-78-4 | 2-Pentenedioic acid, 4-diazo-, 1,5-diethyl ester
CAS No: 114968-78-4 Catalog No: AG000FHS MDL No:
Product Description
Catalog Number:
AG000FHS
Chemical Name:
2-Pentenedioic acid, 4-diazo-, 1,5-diethyl ester
CAS Number:
114968-78-4
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
IUPAC Name:
diethyl 4-diazopent-2-enedioate
InChI:
InChI=1S/C9H12N2O4/c1-3-14-8(12)6-5-7(11-10)9(13)15-4-2/h5-6H,3-4H2,1-2H3
InChI Key:
REDALYMKXPUFIR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=CC(=[N+]=[N-])C(=O)OCC
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.2
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