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857207-74-0 | 1H-Pyrrole-1,3-dicarboxylicacid, 2,3-dihydro-4-hydroxy-2-methyl-
CAS No: 857207-74-0 Catalog No: AG004P9X MDL No:
Product Description
Catalog Number:
AG004P9X
Chemical Name:
1H-Pyrrole-1,3-dicarboxylicacid, 2,3-dihydro-4-hydroxy-2-methyl-
CAS Number:
857207-74-0
Molecular Formula:
C7H9NO5
Molecular Weight:
187.1501
IUPAC Name:
4-hydroxy-2-methyl-2,3-dihydropyrrole-1,3-dicarboxylic acid
InChI:
InChI=1S/C7H9NO5/c1-3-5(6(10)11)4(9)2-8(3)7(12)13/h2-3,5,9H,1H3,(H,10,11)(H,12,13)
InChI Key:
PGJHCOMOWHMVBP-UHFFFAOYSA-N
SMILES:
OC(=O)N1C=C(C(C1C)C(=O)O)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.151g/mol
Monoisotopic Mass:
187.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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