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Home > Indoles and Oxindole > 31241-19-7
31241-19-7 | 3H-Indole, 5-methoxy-2,3,3-trimethyl-
CAS No: 31241-19-7 Catalog No: AG00I5UZ MDL No:MFCD04972105
Product Description
Catalog Number:
AG00I5UZ
Chemical Name:
3H-Indole, 5-methoxy-2,3,3-trimethyl-
CAS Number:
31241-19-7
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD04972105
IUPAC Name:
5-methoxy-2,3,3-trimethylindole
InChI:
InChI=1S/C12H15NO/c1-8-12(2,3)10-7-9(14-4)5-6-11(10)13-8/h5-7H,1-4H3
InChI Key:
UOGHZHPESMATDD-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(C)(C)C(=N2)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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