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88037-81-4 | 1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-diamino-, dimethyl ester
CAS No: 88037-81-4 Catalog No: AG004N1M MDL No:
Product Description
Catalog Number:
AG004N1M
Chemical Name:
1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-diamino-, dimethyl ester
CAS Number:
88037-81-4
Molecular Formula:
C10H14N2O4
Molecular Weight:
226.2292
IUPAC Name:
dimethyl 2,5-diaminocyclohexa-1,4-diene-1,4-dicarboxylate
InChI:
InChI=1S/C10H14N2O4/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4,11-12H2,1-2H3
InChI Key:
FKMMRUZAOLIOFD-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(N)CC(=C(C1)N)C(=O)OC
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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