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Home > Indoles and Oxindole > 1368537-71-6
1368537-71-6 | 5-METHOXY-3-(PROPAN-2-YL)-2,3-DIHYDRO-1H-INDOLE
CAS No: 1368537-71-6 Catalog No: AG01BP7U MDL No:MFCD21876991
Product Description
Catalog Number:
AG01BP7U
Chemical Name:
5-METHOXY-3-(PROPAN-2-YL)-2,3-DIHYDRO-1H-INDOLE
CAS Number:
1368537-71-6
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD21876991
IUPAC Name:
5-methoxy-3-propan-2-yl-2,3-dihydro-1H-indole
InChI:
InChI=1S/C12H17NO/c1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12/h4-6,8,11,13H,7H2,1-3H3
InChI Key:
KGJYKTULWATYAP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(CN2)C(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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