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148528-45-4 | 1H-Pyrrole-2,5-dicarboxylic acid, 3,4-dihydroxy-1-(phenylmethyl)-, 2,5-dimethyl ester
CAS No: 148528-45-4 Catalog No: AG001KZX MDL No:MFCD09800561
Product Description
Catalog Number:
AG001KZX
Chemical Name:
1H-Pyrrole-2,5-dicarboxylic acid, 3,4-dihydroxy-1-(phenylmethyl)-, 2,5-dimethyl ester
CAS Number:
148528-45-4
Molecular Formula:
C15H15NO6
Molecular Weight:
305.2827
MDL Number:
MFCD09800561
IUPAC Name:
dimethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
InChI:
InChI=1S/C15H15NO6/c1-21-14(19)10-12(17)13(18)11(15(20)22-2)16(10)8-9-6-4-3-5-7-9/h3-7,17-18H,8H2,1-2H3
InChI Key:
BWSGIPNBEQVHHN-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(O)c(c(n1Cc1ccccc1)C(=O)OC)O
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.09g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.286g/mol
Monoisotopic Mass:
305.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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