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88072-26-8 | Benzoic acid, 4-(1-methylethyl)-3-(2-oxo-1-azetidinyl)-
CAS No: 88072-26-8 Catalog No: AG004KK9 MDL No:
Product Description
Catalog Number:
AG004KK9
Chemical Name:
Benzoic acid, 4-(1-methylethyl)-3-(2-oxo-1-azetidinyl)-
CAS Number:
88072-26-8
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
3-(2-oxoazetidin-1-yl)-4-propan-2-ylbenzoic acid
InChI:
InChI=1S/C13H15NO3/c1-8(2)10-4-3-9(13(16)17)7-11(10)14-6-5-12(14)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChI Key:
IZKKXMYYWCTHRL-UHFFFAOYSA-N
SMILES:
O=C1CCN1c1cc(ccc1C(C)C)C(=O)O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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