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739365-07-2 | 6-METHOXY-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID
CAS No: 739365-07-2 Catalog No: AG005IVG MDL No:MFCD06589809
Product Description
Catalog Number:
AG005IVG
Chemical Name:
6-METHOXY-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID
CAS Number:
739365-07-2
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD06589809
IUPAC Name:
6-methoxy-1-methylindole-2-carboxylic acid
InChI:
InChI=1S/C11H11NO3/c1-12-9-6-8(15-2)4-3-7(9)5-10(12)11(13)14/h3-6H,1-2H3,(H,13,14)
InChI Key:
KXACSDHQSUBYNG-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n(C)c(c2)C(=O)O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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