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155445-29-7 | 4H-Furo[3,2-b]pyrrole-5-carboxylic acid, 2,3-dimethyl-, methyl ester
CAS No: 155445-29-7 Catalog No: AG001NX2 MDL No:
Product Description
Catalog Number:
AG001NX2
Chemical Name:
4H-Furo[3,2-b]pyrrole-5-carboxylic acid, 2,3-dimethyl-, methyl ester
CAS Number:
155445-29-7
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
methyl 2,3-dimethyl-4H-furo[3,2-b]pyrrole-5-carboxylate
InChI:
InChI=1S/C10H11NO3/c1-5-6(2)14-8-4-7(10(12)13-3)11-9(5)8/h4,11H,1-3H3
InChI Key:
OFJUHFYIWNNHBA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)c(c(o2)C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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