200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 99765-56-7
99765-56-7 | 2-({[4-(1-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl]oxy}methyl)benzonitrile
CAS No: 99765-56-7 Catalog No: AG003WH5 MDL No:
Product Description
Catalog Number:
AG003WH5
Chemical Name:
2-({[4-(1-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-yl]oxy}methyl)benzonitrile
CAS Number:
99765-56-7
Molecular Formula:
C18H23NO3
Molecular Weight:
301.3801
IUPAC Name:
2-[[4-(1-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzonitrile
InChI:
InChI=1S/C18H23NO3/c1-13(11-20)18-8-7-17(2,22-18)16(9-18)21-12-15-6-4-3-5-14(15)10-19/h3-6,13,16,20H,7-9,11-12H2,1-2H3
InChI Key:
OARGJCJJYPULTM-UHFFFAOYSA-N
SMILES:
OCC(C12CCC(O2)(C(C1)OCc1ccccc1C#N)C)C
Properties
Complexity:
459
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:
5
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.