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119393-27-0 | 1,2-Diazaspiro[4.4]nona-1,3-diene-3,4-dicarboxylic acid, 3,4-dimethyl ester
CAS No: 119393-27-0 Catalog No: AG000IOO MDL No:
Product Description
Catalog Number:
AG000IOO
Chemical Name:
1,2-Diazaspiro[4.4]nona-1,3-diene-3,4-dicarboxylic acid, 3,4-dimethyl ester
CAS Number:
119393-27-0
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
IUPAC Name:
dimethyl 1,2-diazaspiro[4.4]nona-1,3-diene-3,4-dicarboxylate
InChI:
InChI=1S/C11H14N2O4/c1-16-9(14)7-8(10(15)17-2)12-13-11(7)5-3-4-6-11/h3-6H2,1-2H3
InChI Key:
XVZBADVUWCKWGN-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(C(=O)OC)C2(N=N1)CCCC2
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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