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1227268-53-2 | 1H-Indole-4-carboxylic acid, 6-hydroxy-, Methyl ester
CAS No: 1227268-53-2 Catalog No: AG000J2N MDL No:MFCD16876011
Product Description
Catalog Number:
AG000J2N
Chemical Name:
1H-Indole-4-carboxylic acid, 6-hydroxy-, Methyl ester
CAS Number:
1227268-53-2
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD16876011
IUPAC Name:
methyl 6-hydroxy-1H-indole-4-carboxylate
InChI:
InChI=1S/C10H9NO3/c1-14-10(13)8-4-6(12)5-9-7(8)2-3-11-9/h2-5,11-12H,1H3
InChI Key:
NYZNXHDLYVXMDE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)cc2c1cc[nH]2
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:
2
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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