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872495-60-8 | Borinic acid, [4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl]ethenyl-
CAS No: 872495-60-8 Catalog No: AG004ML4 MDL No:
Product Description
Catalog Number:
AG004ML4
Chemical Name:
Borinic acid, [4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl]ethenyl-
CAS Number:
872495-60-8
Molecular Formula:
C13H16BNO2
Molecular Weight:
229.0826
IUPAC Name:
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethenyl-hydroxyboron
InChI:
InChI=1S/C13H15BNO2/c1-13(2)9-17-12(15-13)11-5-3-10(4-6-11)7-8-14-16/h3-8,16H,9H2,1-2H3
InChI Key:
XYNILTAUTQMLRS-UHFFFAOYSA-N
SMILES:
OBC=Cc1ccc(cc1)C1=NC(CO1)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.078g/mol
Monoisotopic Mass:
228.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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