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1049610-16-3 | 5-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
CAS No: 1049610-16-3 Catalog No: AG01A2CZ MDL No:MFCD12553391
Product Description
Catalog Number:
AG01A2CZ
Chemical Name:
5-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
CAS Number:
1049610-16-3
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
MDL Number:
MFCD12553391
IUPAC Name:
5-methoxy-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
InChI:
InChI=1S/C13H13NO5/c1-8-5-9(14-19-8)7-18-12-4-3-10(17-2)6-11(12)13(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChI Key:
NSIFCXDSWWOEKW-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)O)OCc1noc(c1)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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