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161532-19-0 | 1H-Indole-3-carboxylic acid, 4-methoxy-, methyl ester
CAS No: 161532-19-0 Catalog No: AG001VNO MDL No:MFCD09836010
Product Description
Catalog Number:
AG001VNO
Chemical Name:
1H-Indole-3-carboxylic acid, 4-methoxy-, methyl ester
CAS Number:
161532-19-0
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD09836010
IUPAC Name:
methyl 4-methoxy-1H-indole-3-carboxylate
InChI:
InChI=1S/C11H11NO3/c1-14-9-5-3-4-8-10(9)7(6-12-8)11(13)15-2/h3-6,12H,1-2H3
InChI Key:
QPCLDGGSAWJMAB-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1c(OC)ccc2
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:
1.9
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