200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 823227-29-8
823227-29-8 | Benzonitrile, 2-[6-[3-(hydroxymethyl)phenyl]-3-hexene-1,5-diynyl]-
CAS No: 823227-29-8 Catalog No: AG005E61 MDL No:
Product Description
Catalog Number:
AG005E61
Chemical Name:
Benzonitrile, 2-[6-[3-(hydroxymethyl)phenyl]-3-hexene-1,5-diynyl]-
CAS Number:
823227-29-8
Molecular Formula:
C20H13NO
Molecular Weight:
283.3233
IUPAC Name:
2-[6-[3-(hydroxymethyl)phenyl]hex-3-en-1,5-diynyl]benzonitrile
InChI:
InChI=1S/C20H13NO/c21-15-20-13-6-5-12-19(20)11-4-2-1-3-8-17-9-7-10-18(14-17)16-22/h1-2,5-7,9-10,12-14,22H,16H2
InChI Key:
JYNGMQVDFMHDSK-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)C#CC=CC#Cc1ccccc1C#N
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.33g/mol
Monoisotopic Mass:
283.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.