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176234-09-6 | Benzoic acid, 2-(4,5-dihydro-4,4-dimethyl-5-oxo-2-oxazolyl)-, methyl ester
CAS No: 176234-09-6 Catalog No: AG00AV3U MDL No:
Product Description
Catalog Number:
AG00AV3U
Chemical Name:
Benzoic acid, 2-(4,5-dihydro-4,4-dimethyl-5-oxo-2-oxazolyl)-, methyl ester
CAS Number:
176234-09-6
IUPAC Name:
methyl 2-(4,4-dimethyl-5-oxo-1,3-oxazol-2-yl)benzoate
InChI:
InChI=1S/C13H13NO4/c1-13(2)12(16)18-10(14-13)8-6-4-5-7-9(8)11(15)17-3/h4-7H,1-3H3
InChI Key:
DBVKZUZFTUKQIU-UHFFFAOYSA-N
Properties
Complexity:
400
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:
0
Isotope Atom Count:
0
Molecular Weight:
247.25g/mol
Monoisotopic Mass:
247.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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