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168074-99-5 | Pyrrolo[1,2-a]pyrazine-1,4-dione,hexahydro-6-methyl-3-methylene- (9CI)
CAS No: 168074-99-5 Catalog No: AG001XSK MDL No:
Product Description
Catalog Number:
AG001XSK
Chemical Name:
Pyrrolo[1,2-a]pyrazine-1,4-dione,hexahydro-6-methyl-3-methylene- (9CI)
CAS Number:
168074-99-5
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
6-methyl-3-methylidene-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
InChI:
InChI=1S/C9H12N2O2/c1-5-3-4-7-8(12)10-6(2)9(13)11(5)7/h5,7H,2-4H2,1H3,(H,10,12)
InChI Key:
QLUNVMTZHYVHPM-UHFFFAOYSA-N
SMILES:
CC1CCC2N1C(=O)C(=C)NC2=O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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