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20944-65-4 | 2H-Isoindole, 1,3,4,7-tetramethyl-
CAS No: 20944-65-4 Catalog No: AG002K90 MDL No:MFCD24552152
Product Description
Catalog Number:
AG002K90
Chemical Name:
2H-Isoindole, 1,3,4,7-tetramethyl-
CAS Number:
20944-65-4
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
MDL Number:
MFCD24552152
IUPAC Name:
1,3,4,7-tetramethyl-2H-isoindole
InChI:
InChI=1S/C12H15N/c1-7-5-6-8(2)12-10(4)13-9(3)11(7)12/h5-6,13H,1-4H3
InChI Key:
PDENJZYMZXMITD-UHFFFAOYSA-N
SMILES:
Cc1ccc(c2c1c(C)[nH]c2C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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