200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113479-88-2
113479-88-2 | 2-Azetidinone, 4-(3-phenyl-2-propyn-1-yl)-
CAS No: 113479-88-2 Catalog No: AG0008QE MDL No:
Product Description
Catalog Number:
AG0008QE
Chemical Name:
2-Azetidinone, 4-(3-phenyl-2-propyn-1-yl)-
CAS Number:
113479-88-2
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
4-(3-phenylprop-2-ynyl)azetidin-2-one
InChI:
InChI=1S/C12H11NO/c14-12-9-11(13-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,8-9H2,(H,13,14)
InChI Key:
PPPNRFBGZIVOSX-UHFFFAOYSA-N
SMILES:
O=C1CC(N1)CC#Cc1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.