200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 99765-59-0
99765-59-0 | 2-({[4-(2-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl]oxy}methyl)benzonitrile
CAS No: 99765-59-0 Catalog No: AG003X0T MDL No:
Product Description
Catalog Number:
AG003X0T
Chemical Name:
2-({[4-(2-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl]oxy}methyl)benzonitrile
CAS Number:
99765-59-0
Molecular Formula:
C18H23NO3
Molecular Weight:
301.3801
IUPAC Name:
2-[[4-(2-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzonitrile
InChI:
InChI=1S/C18H23NO3/c1-16(2,20)18-9-8-17(3,22-18)15(10-18)21-12-14-7-5-4-6-13(14)11-19/h4-7,15,20H,8-10,12H2,1-3H3
InChI Key:
WIICOXODXFNKOI-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1COC1CC2(OC1(C)CC2)C(O)(C)C
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.386g/mol
Monoisotopic Mass:
301.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.