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857207-62-6 | 1H-Pyrrole-1,3-dicarboxylicacid, 2,5-dihydro-4-methoxy-
CAS No: 857207-62-6 Catalog No: AG004POU MDL No:
Product Description
Catalog Number:
AG004POU
Chemical Name:
1H-Pyrrole-1,3-dicarboxylicacid, 2,5-dihydro-4-methoxy-
CAS Number:
857207-62-6
Molecular Formula:
C7H9NO5
Molecular Weight:
187.1501
IUPAC Name:
4-methoxy-2,5-dihydropyrrole-1,3-dicarboxylic acid
InChI:
InChI=1S/C7H9NO5/c1-13-5-3-8(7(11)12)2-4(5)6(9)10/h2-3H2,1H3,(H,9,10)(H,11,12)
InChI Key:
QSMOEOBDNHJNTD-UHFFFAOYSA-N
SMILES:
COC1=C(CN(C1)C(=O)O)C(=O)O
Properties
Complexity:
283
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:
2
Isotope Atom Count:
0
Molecular Weight:
187.151g/mol
Monoisotopic Mass:
187.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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