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137003-97-5 | Pyrrolo[2,3-c]azepine-4,8(1H,5H)-dione, 6,7-dihydro-7-methyl-
CAS No: 137003-97-5 Catalog No: AG0012PQ MDL No:
Product Description
Catalog Number:
AG0012PQ
Chemical Name:
Pyrrolo[2,3-c]azepine-4,8(1H,5H)-dione, 6,7-dihydro-7-methyl-
CAS Number:
137003-97-5
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
IUPAC Name:
7-methyl-5,6-dihydro-1H-pyrrolo[2,3-c]azepine-4,8-dione
InChI:
InChI=1S/C9H10N2O2/c1-11-5-3-7(12)6-2-4-10-8(6)9(11)13/h2,4,10H,3,5H2,1H3
InChI Key:
GVLAPXCEGZFQBK-UHFFFAOYSA-N
SMILES:
CN1CCC(=O)c2c(C1=O)[nH]cc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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