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145818-28-6 | Benzonitrile, 4-(1,1-dimethylethyl)-2-hydroxy-
CAS No: 145818-28-6 Catalog No: AG001DFX MDL No:MFCD09263968
Product Description
Catalog Number:
AG001DFX
Chemical Name:
Benzonitrile, 4-(1,1-dimethylethyl)-2-hydroxy-
CAS Number:
145818-28-6
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD09263968
IUPAC Name:
4-tert-butyl-2-hydroxybenzonitrile
InChI:
InChI=1S/C11H13NO/c1-11(2,3)9-5-4-8(7-12)10(13)6-9/h4-6,13H,1-3H3
InChI Key:
QTLNIYPZXDQTKS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1O)C(C)(C)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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