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72667-29-9 | Benzoic acid, 3-[5-(hydroxymethyl)-2-oxo-3-oxazolidinyl]-
CAS No: 72667-29-9 Catalog No: AG005FNV MDL No:
Product Description
Catalog Number:
AG005FNV
Chemical Name:
Benzoic acid, 3-[5-(hydroxymethyl)-2-oxo-3-oxazolidinyl]-
CAS Number:
72667-29-9
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
IUPAC Name:
3-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
InChI:
InChI=1S/C11H11NO5/c13-6-9-5-12(11(16)17-9)8-3-1-2-7(4-8)10(14)15/h1-4,9,13H,5-6H2,(H,14,15)
InChI Key:
NIOIFGLPWCKDSM-UHFFFAOYSA-N
SMILES:
OCC1OC(=O)N(C1)c1cccc(c1)C(=O)O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.211g/mol
Monoisotopic Mass:
237.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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