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121789-31-9 | 1-Propanone, 3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)-
CAS No: 121789-31-9 Catalog No: AG00161A MDL No:
Product Description
Catalog Number:
AG00161A
Chemical Name:
1-Propanone, 3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)-
CAS Number:
121789-31-9
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-one
InChI:
InChI=1S/C14H18O4/c1-16-13-6-3-2-5-11(13)12(15)7-8-14-17-9-4-10-18-14/h2-3,5-6,14H,4,7-10H2,1H3
InChI Key:
VPPKJRKLOKTSFK-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=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:
2.1
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