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745055-49-6 | 3-(3-(4-(2-Methoxyethoxy)phenyl)isoxazol-5-yl)benzoic acid
CAS No: 745055-49-6 Catalog No: AG005WOG MDL No:MFCD23135475
Product Description
Catalog Number:
AG005WOG
Chemical Name:
3-(3-(4-(2-Methoxyethoxy)phenyl)isoxazol-5-yl)benzoic acid
CAS Number:
745055-49-6
Molecular Formula:
C19H17NO5
Molecular Weight:
339.3420
MDL Number:
MFCD23135475
IUPAC Name:
3-[3-[4-(2-methoxyethoxy)phenyl]-1,2-oxazol-5-yl]benzoic acid
InChI:
InChI=1S/C19H17NO5/c1-23-9-10-24-16-7-5-13(6-8-16)17-12-18(25-20-17)14-3-2-4-15(11-14)19(21)22/h2-8,11-12H,9-10H2,1H3,(H,21,22)
InChI Key:
RLKOQMNQIJKFCV-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1)c1noc(c1)c1cccc(c1)C(=O)O
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.347g/mol
Monoisotopic Mass:
339.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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