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Home > Boronic Acids > 1150114-47-8
1150114-47-8 | 1H-Indole-6-carboxylic acid, 2-borono-, 6-methyl ester
CAS No: 1150114-47-8 Catalog No: AG000FMU MDL No:MFCD11855843
Product Description
Catalog Number:
AG000FMU
Chemical Name:
1H-Indole-6-carboxylic acid, 2-borono-, 6-methyl ester
CAS Number:
1150114-47-8
Molecular Formula:
C10H10BNO4
Molecular Weight:
219.0017
MDL Number:
MFCD11855843
IUPAC Name:
(6-methoxycarbonyl-1H-indol-2-yl)boronic acid
InChI:
InChI=1S/C10H10BNO4/c1-16-10(13)7-3-2-6-5-9(11(14)15)12-8(6)4-7/h2-5,12,14-15H,1H3
InChI Key:
NRUMZMTTWWXRDD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)[nH]c(c2)B(O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.003g/mol
Monoisotopic Mass:
219.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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