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740060-59-7 | 2,3-Diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid
CAS No: 740060-59-7 Catalog No: AG005IJU MDL No:
Product Description
Catalog Number:
AG005IJU
Chemical Name:
2,3-Diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylicacid
CAS Number:
740060-59-7
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
IUPAC Name:
2,3-diazabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
InChI:
InChI=1S/C7H8N2O4/c10-6(11)8-4-1-2-5(3-4)9(8)7(12)13/h1-2,4-5H,3H2,(H,10,11)(H,12,13)
InChI Key:
SEULEVHUEBOMFH-UHFFFAOYSA-N
SMILES:
OC(=O)N1C2C=CC(N1C(=O)O)C2
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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