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4395-87-3 | 4-ISOPROPYLPHENYLACETONITRILE
CAS No: 4395-87-3 Catalog No: AG003LLR MDL No:MFCD00040892
Product Description
Catalog Number:
AG003LLR
Chemical Name:
4-ISOPROPYLPHENYLACETONITRILE
CAS Number:
4395-87-3
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD00040892
IUPAC Name:
2-(4-propan-2-ylphenyl)acetonitrile
InChI:
InChI=1S/C11H13N/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,9H,7H2,1-2H3
InChI Key:
RIPHZOPMCRSGSI-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)CC#N)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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