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164025-07-4 | 1H-Pyrrole-1-acetic acid, 2,5-dihydro-2,5-dioxo-, methyl ester
CAS No: 164025-07-4 Catalog No: AG001ULI MDL No:
Product Description
Catalog Number:
AG001ULI
Chemical Name:
1H-Pyrrole-1-acetic acid, 2,5-dihydro-2,5-dioxo-, methyl ester
CAS Number:
164025-07-4
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
IUPAC Name:
methyl 2-(2,5-dioxopyrrol-1-yl)acetate
InChI:
InChI=1S/C7H7NO4/c1-12-7(11)4-8-5(9)2-3-6(8)10/h2-3H,4H2,1H3
InChI Key:
FJGBWUWWURPIJN-UHFFFAOYSA-N
SMILES:
COC(=O)CN1C(=O)C=CC1=O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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