200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 121789-35-3
121789-35-3 | 1-Propanone, 3-(1,3-dioxan-2-yl)-1-(3-methoxyphenyl)-
CAS No: 121789-35-3 Catalog No: AG001619 MDL No:
Product Description
Catalog Number:
AG001619
Chemical Name:
1-Propanone, 3-(1,3-dioxan-2-yl)-1-(3-methoxyphenyl)-
CAS Number:
121789-35-3
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
3-(1,3-dioxan-2-yl)-1-(3-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C14H18O4/c1-16-12-5-2-4-11(10-12)13(15)6-7-14-17-8-3-9-18-14/h2,4-5,10,14H,3,6-9H2,1H3
InChI Key:
QWGQOWFJIIGQMK-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)CCC1OCCCO1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.