Home Other Building Blocks 4-(4-methoxybenzoyl)oxane

4-(4-methoxybenzoyl)oxane

CAS No.:
1341760-69-7
Catalog Number:
AG01A3XB
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
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Product Description
Catalog Number:
AG01A3XB
Chemical Name:
4-(4-methoxybenzoyl)oxane
CAS Number:
1341760-69-7
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
MDL Number:
MFCD17243716
IUPAC Name:
(4-methoxyphenyl)-(oxan-4-yl)methanone
InChI:
InChI=1S/C13H16O3/c1-15-12-4-2-10(3-5-12)13(14)11-6-8-16-9-7-11/h2-5,11H,6-9H2,1H3
InChI Key:
IINOPBXHLGRRGK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C1CCOCC1
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties