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88075-42-7 | Acetic acid, (5-methyl-3-oxopiperazinylidene)-, methyl ester
CAS No: 88075-42-7 Catalog No: AG004HPS MDL No:
Product Description
Catalog Number:
AG004HPS
Chemical Name:
Acetic acid, (5-methyl-3-oxopiperazinylidene)-, methyl ester
CAS Number:
88075-42-7
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
IUPAC Name:
methyl 2-(5-methyl-3-oxopiperazin-2-ylidene)acetate
InChI:
InChI=1S/C8H12N2O3/c1-5-4-9-6(8(12)10-5)3-7(11)13-2/h3,5,9H,4H2,1-2H3,(H,10,12)
InChI Key:
OGXZZLAGHBYOQI-UHFFFAOYSA-N
SMILES:
COC(=O)C=C1NCC(NC1=O)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0
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