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Home > Indoles and Oxindole > 835595-03-4
835595-03-4 | Benzoic acid, 3-(5,6-dimethyl-1H-indol-2-yl)-4-methoxy-
CAS No: 835595-03-4 Catalog No: AG004ZMT MDL No:
Product Description
Catalog Number:
AG004ZMT
Chemical Name:
Benzoic acid, 3-(5,6-dimethyl-1H-indol-2-yl)-4-methoxy-
CAS Number:
835595-03-4
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
3-(5,6-dimethyl-1H-indol-2-yl)-4-methoxybenzoic acid
InChI:
InChI=1S/C18H17NO3/c1-10-6-13-9-16(19-15(13)7-11(10)2)14-8-12(18(20)21)4-5-17(14)22-3/h4-9,19H,1-3H3,(H,20,21)
InChI Key:
XMFAPHQECGBXEZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1c1[nH]c2c(c1)cc(c(c2)C)C)C(=O)O
Properties
Complexity:
413
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:
3
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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