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338954-27-1 | 1-[4-(4-methoxybenzoyl)-1,2-oxazol-3-yl]ethan-1-one
CAS No: 338954-27-1 Catalog No: AG00IPMN MDL No:MFCD00664778
Product Description
Catalog Number:
AG00IPMN
Chemical Name:
1-[4-(4-methoxybenzoyl)-1,2-oxazol-3-yl]ethan-1-one
CAS Number:
338954-27-1
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
MDL Number:
MFCD00664778
IUPAC Name:
1-[4-(4-methoxybenzoyl)-1,2-oxazol-3-yl]ethanone
InChI:
InChI=1S/C13H11NO4/c1-8(15)12-11(7-18-14-12)13(16)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3
InChI Key:
JZGNPEGJBAUHGR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1conc1C(=O)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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