200,000+ products from a single source!
sales@angenechem.com
116087-31-1 | 2(3H)-Furanone, 4-(4-chlorophenyl)dihydro-3-(hydroxymethyl)-, trans- (9CI)
CAS No: 116087-31-1 Catalog No: AG000BLO MDL No:
Product Description
Catalog Number:
AG000BLO
Chemical Name:
2(3H)-Furanone, 4-(4-chlorophenyl)dihydro-3-(hydroxymethyl)-, trans- (9CI)
CAS Number:
116087-31-1
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
IUPAC Name:
4-(4-chlorophenyl)-3-(hydroxymethyl)oxolan-2-one
InChI:
InChI=1S/C11H11ClO3/c12-8-3-1-7(2-4-8)10-6-15-11(14)9(10)5-13/h1-4,9-10,13H,5-6H2
InChI Key:
DTLVIPYIMFOKIA-UHFFFAOYSA-N
SMILES:
OC[C@@H]1C(=O)OC[C@H]1c1ccc(cc1)Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.