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185259-36-3 | 4-(tert-Butoxy);benzonitrile
CAS No: 185259-36-3 Catalog No: AG003M19 MDL No:MFCD03425273
Product Description
Catalog Number:
AG003M19
Chemical Name:
4-(tert-Butoxy);benzonitrile
CAS Number:
185259-36-3
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
MDL Number:
MFCD03425273
IUPAC Name:
4-[(2-methylpropan-2-yl)oxy]benzonitrile
InChI:
InChI=1S/C11H13NO/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
InChI Key:
WLWYCCYGVDZFMS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)OC(C)(C)C
Properties
Complexity:
200
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:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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