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63023-68-7 | 3-tert-butyl-2,3-dihydro-1H-indol-2-one
CAS No: 63023-68-7 Catalog No: AG01BEQR MDL No:MFCD19369910
Product Description
Catalog Number:
AG01BEQR
Chemical Name:
3-tert-butyl-2,3-dihydro-1H-indol-2-one
CAS Number:
63023-68-7
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD19369910
IUPAC Name:
3-tert-butyl-1,3-dihydroindol-2-one
InChI:
InChI=1S/C12H15NO/c1-12(2,3)10-8-6-4-5-7-9(8)13-11(10)14/h4-7,10H,1-3H3,(H,13,14)
InChI Key:
ZWUOJQIVHKBXQU-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1C(C)(C)C)cccc2
Properties
Complexity:
241
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:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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