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155445-31-1 | 1H-Benzofuro[3,2-b]pyrrole-2-carboxylic acid, methyl ester
CAS No: 155445-31-1 Catalog No: AG001NX1 MDL No:MFCD01647449
Product Description
Catalog Number:
AG001NX1
Chemical Name:
1H-Benzofuro[3,2-b]pyrrole-2-carboxylic acid, methyl ester
CAS Number:
155445-31-1
Molecular Formula:
C12H9NO3
Molecular Weight:
215.2048
MDL Number:
MFCD01647449
IUPAC Name:
methyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
InChI:
InChI=1S/C12H9NO3/c1-15-12(14)8-6-10-11(13-8)7-4-2-3-5-9(7)16-10/h2-6,13H,1H3
InChI Key:
AOWSNWURKKOALC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)c1c(o2)cccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.208g/mol
Monoisotopic Mass:
215.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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