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126416-42-0 | 3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, 3,4-dimethyl ester
CAS No: 126416-42-0 Catalog No: AG000SS7 MDL No:
Product Description
Catalog Number:
AG000SS7
Chemical Name:
3H-Pyrazole-3,4-dicarboxylic acid, 4,5-dihydro-, 3,4-dimethyl ester
CAS Number:
126416-42-0
Molecular Formula:
C7H10N2O4
Molecular Weight:
186.1653
IUPAC Name:
dimethyl 4,5-dihydro-3H-pyrazole-3,4-dicarboxylate
InChI:
InChI=1S/C7H10N2O4/c1-12-6(10)4-3-8-9-5(4)7(11)13-2/h4-5H,3H2,1-2H3
InChI Key:
WJAGOCRHUZQRSG-UHFFFAOYSA-N
SMILES:
COC(=O)C1N=NCC1C(=O)OC
NSC Number:
142676
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.167g/mol
Monoisotopic Mass:
186.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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