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1216953-27-3 | 7-Indolizinecarboxylic acid, 5-hydroxy-, methyl ester
CAS No: 1216953-27-3 Catalog No: AG0015L5 MDL No:
Product Description
Catalog Number:
AG0015L5
Chemical Name:
7-Indolizinecarboxylic acid, 5-hydroxy-, methyl ester
CAS Number:
1216953-27-3
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
IUPAC Name:
methyl 5-hydroxyindolizine-7-carboxylate
InChI:
InChI=1S/C10H9NO3/c1-14-10(13)7-5-8-3-2-4-11(8)9(12)6-7/h2-6,12H,1H3
InChI Key:
DQDPKNRGOXVGHQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)n2c(c1)ccc2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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