200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 87271-76-9
87271-76-9 | 3-phenyl-1,4-dioxan-2-one
CAS No: 87271-76-9 Catalog No: AG004I9E MDL No:
Product Description
Catalog Number:
AG004I9E
Chemical Name:
3-phenyl-1,4-dioxan-2-one
CAS Number:
87271-76-9
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
3-phenyl-1,4-dioxan-2-one
InChI:
InChI=1S/C10H10O3/c11-10-9(12-6-7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:
YVJOGYUQHGDQPE-UHFFFAOYSA-N
SMILES:
O=C1OCCOC1c1ccccc1
NSC Number:
406916
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.