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148101-63-7 | 6-Benzoxazolebutanoic acid, 2,3-dihydro-3-methyl-2-oxo-
CAS No: 148101-63-7 Catalog No: AG001FFW MDL No:
Product Description
Catalog Number:
AG001FFW
Chemical Name:
6-Benzoxazolebutanoic acid, 2,3-dihydro-3-methyl-2-oxo-
CAS Number:
148101-63-7
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
IUPAC Name:
4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanoic acid
InChI:
InChI=1S/C12H13NO4/c1-13-9-6-5-8(3-2-4-11(14)15)7-10(9)17-12(13)16/h5-7H,2-4H2,1H3,(H,14,15)
InChI Key:
XVQYMTOWJHZSNP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCc1ccc2c(c1)oc(=O)n2C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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