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131424-27-6 | Methyl 6-methoxy-1H-indole-3-carboxylate
CAS No: 131424-27-6 Catalog No: AG000W4Y MDL No:MFCD09836008
Product Description
Catalog Number:
AG000W4Y
Chemical Name:
Methyl 6-methoxy-1H-indole-3-carboxylate
CAS Number:
131424-27-6
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD09836008
IUPAC Name:
methyl 6-methoxy-1H-indole-3-carboxylate
InChI:
InChI=1S/C11H11NO3/c1-14-7-3-4-8-9(11(13)15-2)6-12-10(8)5-7/h3-6,12H,1-2H3
InChI Key:
JBRYVSINLJPRSP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]cc2C(=O)OC
Properties
Complexity:
244
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:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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