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137777-05-0 | 1H-Pyrrole-2-carboxylic acid, 3-oxo-1-cyclohexen-1-yl ester
CAS No: 137777-05-0 Catalog No: AG0013U5 MDL No:
Product Description
Catalog Number:
AG0013U5
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3-oxo-1-cyclohexen-1-yl ester
CAS Number:
137777-05-0
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
(3-oxocyclohexen-1-yl) 1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C11H11NO3/c13-8-3-1-4-9(7-8)15-11(14)10-5-2-6-12-10/h2,5-7,12H,1,3-4H2
InChI Key:
PYYPHDPFYHEUIZ-UHFFFAOYSA-N
SMILES:
O=C1CCCC(=C1)OC(=O)c1ccc[nH]1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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