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919361-21-0 | Benzonitrile, 4-[4-(2-hydroxyethyl)-5-methyl-2-oxazolyl]-
CAS No: 919361-21-0 Catalog No: AG0066RC MDL No:
Product Description
Catalog Number:
AG0066RC
Chemical Name:
Benzonitrile, 4-[4-(2-hydroxyethyl)-5-methyl-2-oxazolyl]-
CAS Number:
919361-21-0
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
4-[4-(2-hydroxyethyl)-5-methyl-1,3-oxazol-2-yl]benzonitrile
InChI:
InChI=1S/C13H12N2O2/c1-9-12(6-7-16)15-13(17-9)11-4-2-10(8-14)3-5-11/h2-5,16H,6-7H2,1H3
InChI Key:
QEASJYGIJWYJHR-UHFFFAOYSA-N
SMILES:
OCCc1nc(oc1C)c1ccc(cc1)C#N
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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