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315692-86-5 | 3-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOIC ACID
CAS No: 315692-86-5 Catalog No: AG00BYMN MDL No:MFCD02324525
Product Description
Catalog Number:
AG00BYMN
Chemical Name:
3-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOIC ACID
CAS Number:
315692-86-5
Molecular Formula:
C13H13NO4
Molecular Weight:
247.2466
MDL Number:
MFCD02324525
IUPAC Name:
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
InChI:
InChI=1S/C13H13NO4/c1-8-12(9(2)18-14-8)7-17-11-5-3-4-10(6-11)13(15)16/h3-6H,7H2,1-2H3,(H,15,16)
InChI Key:
NSODFQJPVJFTLK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)OCc1c(C)noc1C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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