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681288-76-6 | 5-(Methoxycarbonyl)-1H-indole-2-carboxylicacid
CAS No: 681288-76-6 Catalog No: AG003A1I MDL No:MFCD18072561
Product Description
Catalog Number:
AG003A1I
Chemical Name:
5-(Methoxycarbonyl)-1H-indole-2-carboxylicacid
CAS Number:
681288-76-6
Molecular Formula:
C11H9NO4
Molecular Weight:
219.1935
MDL Number:
MFCD18072561
IUPAC Name:
5-methoxycarbonyl-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C11H9NO4/c1-16-11(15)6-2-3-8-7(4-6)5-9(12-8)10(13)14/h2-5,12H,1H3,(H,13,14)
InChI Key:
KDLHRCGYOILAFD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)cc([nH]2)C(=O)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.196g/mol
Monoisotopic Mass:
219.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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