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844644-07-1 | Cyclopenta[b]pyrrole-3-carboxylicacid, 1,4,5,6-tetrahydro-2-methyl-6-oxo-
CAS No: 844644-07-1 Catalog No: AG004W23 MDL No:MFCD12924496
Product Description
Catalog Number:
AG004W23
Chemical Name:
Cyclopenta[b]pyrrole-3-carboxylicacid, 1,4,5,6-tetrahydro-2-methyl-6-oxo-
CAS Number:
844644-07-1
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD12924496
IUPAC Name:
2-methyl-6-oxo-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylic acid
InChI:
InChI=1S/C9H9NO3/c1-4-7(9(12)13)5-2-3-6(11)8(5)10-4/h10H,2-3H2,1H3,(H,12,13)
InChI Key:
VUHYBTRRBXKIJK-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)[nH]c2c1CCC2=O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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