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537657-97-9 | 3-(2-oxo-3-oxazolidinyl)benzoic acid
CAS No: 537657-97-9 Catalog No: AG00DL8X MDL No:MFCD11167854
Product Description
Catalog Number:
AG00DL8X
Chemical Name:
3-(2-oxo-3-oxazolidinyl)benzoic acid
CAS Number:
537657-97-9
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
MDL Number:
MFCD11167854
IUPAC Name:
3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
InChI:
InChI=1S/C10H9NO4/c12-9(13)7-2-1-3-8(6-7)11-4-5-15-10(11)14/h1-3,6H,4-5H2,(H,12,13)
InChI Key:
KETFZTDHSKCSAT-UHFFFAOYSA-N
SMILES:
O=C1OCCN1c1cccc(c1)C(=O)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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