200,000+ products from a single source!
sales@angenechem.com
898785-54-1 | 4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-IODOBUTYROPHENONE
CAS No: 898785-54-1 Catalog No: AG00GYW4 MDL No:
Product Description
Catalog Number:
AG00GYW4
Chemical Name:
4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)-2'-IODOBUTYROPHENONE
CAS Number:
898785-54-1
Molecular Formula:
C16H21IO3
Molecular Weight:
388.2406
IUPAC Name:
4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(2-iodophenyl)butan-1-one
InChI:
InChI=1S/C16H21IO3/c1-16(2)10-19-15(20-11-16)9-5-8-14(18)12-6-3-4-7-13(12)17/h3-4,6-7,15H,5,8-11H2,1-2H3
InChI Key:
WMLGNMBISXCWPW-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1I)CCCC1OCC(CO1)(C)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.245g/mol
Monoisotopic Mass:
388.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.