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1253732-93-2 | Benzonitrile, 4-formyl-2,6-dimethyl-
CAS No: 1253732-93-2 Catalog No: AG000NK2 MDL No:
Product Description
Catalog Number:
AG000NK2
Chemical Name:
Benzonitrile, 4-formyl-2,6-dimethyl-
CAS Number:
1253732-93-2
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
4-formyl-2,6-dimethylbenzonitrile
InChI:
InChI=1S/C10H9NO/c1-7-3-9(6-12)4-8(2)10(7)5-11/h3-4,6H,1-2H3
InChI Key:
TYSDQEDXESJJQE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(c(c1)C)C#N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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