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1417984-61-2 | 1H-Indole-3-acetic acid, 6-methyl-5-(phenylmethoxy)-
CAS No: 1417984-61-2 Catalog No: AG001H75 MDL No:
Product Description
Catalog Number:
AG001H75
Chemical Name:
1H-Indole-3-acetic acid, 6-methyl-5-(phenylmethoxy)-
CAS Number:
1417984-61-2
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C18H17NO3/c1-12-7-16-15(14(10-19-16)8-18(20)21)9-17(12)22-11-13-5-3-2-4-6-13/h2-7,9-10,19H,8,11H2,1H3,(H,20,21)
InChI Key:
JZZZQJCJGDDKFZ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c[nH]c2c1cc(OCc1ccccc1)c(c2)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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