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128545-47-1 | 1H-Pyrrole-1-carboxylic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-, ethyl ester
CAS No: 128545-47-1 Catalog No: AG000Y75 MDL No:
Product Description
Catalog Number:
AG000Y75
Chemical Name:
1H-Pyrrole-1-carboxylic acid, 2,3-dihydro-2,2-dimethyl-3-oxo-, ethyl ester
CAS Number:
128545-47-1
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
ethyl 2,2-dimethyl-3-oxopyrrole-1-carboxylate
InChI:
InChI=1S/C9H13NO3/c1-4-13-8(12)10-6-5-7(11)9(10,2)3/h5-6H,4H2,1-3H3
InChI Key:
CXYNJSVMCUBBHI-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1C=CC(=O)C1(C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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