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116350-38-0 | 1H-Indole-2-carboxylic acid, 6-hydroxy-, methyl ester
CAS No: 116350-38-0 Catalog No: AG000C9I MDL No:MFCD11053690
Product Description
Catalog Number:
AG000C9I
Chemical Name:
1H-Indole-2-carboxylic acid, 6-hydroxy-, methyl ester
CAS Number:
116350-38-0
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD11053690
IUPAC Name:
methyl 6-hydroxy-1H-indole-2-carboxylate
InChI:
InChI=1S/C10H9NO3/c1-14-10(13)9-4-6-2-3-7(12)5-8(6)11-9/h2-5,11-12H,1H3
InChI Key:
PFHGZEXEKZRMIP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)cc(cc2)O
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:
2.1
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