200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 86031-13-2
86031-13-2 | Phenol, 4-(phenylsulfonyl)-, carbonate (2:1)
CAS No: 86031-13-2 Catalog No: AG004V1P MDL No:
Product Description
Catalog Number:
AG004V1P
Chemical Name:
Phenol, 4-(phenylsulfonyl)-, carbonate (2:1)
CAS Number:
86031-13-2
Molecular Formula:
C25H22O9S2
Molecular Weight:
530.5668
IUPAC Name:
4-(benzenesulfonyl)phenol;carbonic acid
InChI:
InChI=1S/2C12H10O3S.CH2O3/c2*13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11;2-1(3)4/h2*1-9,13H;(H2,2,3,4)
InChI Key:
WBMLDFCPOOZHHA-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)S(=O)(=O)c1ccccc1.Oc1ccc(cc1)S(=O)(=O)c1ccccc1.OC(=O)O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
530.071g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
530.562g/mol
Monoisotopic Mass:
530.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.