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138350-00-2 | 1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,3,3-tetramethyl-2-oxo-
CAS No: 138350-00-2 Catalog No: AG0018M1 MDL No:
Product Description
Catalog Number:
AG0018M1
Chemical Name:
1H-Indene-5-carbonitrile, 2,3-dihydro-1,1,3,3-tetramethyl-2-oxo-
CAS Number:
138350-00-2
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
IUPAC Name:
1,1,3,3-tetramethyl-2-oxoindene-5-carbonitrile
InChI:
InChI=1S/C14H15NO/c1-13(2)10-6-5-9(8-15)7-11(10)14(3,4)12(13)16/h5-7H,1-4H3
InChI Key:
ZBVFCIKTEDTGNR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C(C)(C)C(=O)C2(C)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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