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77920-15-1 | Benzoic acid, 4-[(2,2-dimethyl-3-oxazolidinyl)carbonyl]-
CAS No: 77920-15-1 Catalog No: AG008O2F MDL No:
Product Description
Catalog Number:
AG008O2F
Chemical Name:
Benzoic acid, 4-[(2,2-dimethyl-3-oxazolidinyl)carbonyl]-
CAS Number:
77920-15-1
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
IUPAC Name:
4-(2,2-dimethyl-1,3-oxazolidine-3-carbonyl)benzoic acid
InChI:
InChI=1S/C13H15NO4/c1-13(2)14(7-8-18-13)11(15)9-3-5-10(6-4-9)12(16)17/h3-6H,7-8H2,1-2H3,(H,16,17)
InChI Key:
NYIFLCHAPHKKFK-UHFFFAOYSA-N
SMILES:
O=C(N1CCOC1(C)C)c1ccc(cc1)C(=O)O
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.266g/mol
Monoisotopic Mass:
249.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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