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17536-38-8 | 1H-Indole-3-acetic acid, 5-methoxy-2-methyl-, ethyl ester
CAS No: 17536-38-8 Catalog No: AG0020Y5 MDL No:
Product Description
Catalog Number:
AG0020Y5
Chemical Name:
1H-Indole-3-acetic acid, 5-methoxy-2-methyl-, ethyl ester
CAS Number:
17536-38-8
Molecular Formula:
C14H17NO3
Molecular Weight:
247.2897
IUPAC Name:
ethyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate
InChI:
InChI=1S/C14H17NO3/c1-4-18-14(16)8-11-9(2)15-13-6-5-10(17-3)7-12(11)13/h5-7,15H,4,8H2,1-3H3
InChI Key:
MDEARKLIJNPQCN-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1c(C)[nH]c2c1cc(OC)cc2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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