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38678-58-9 | Phenoxyacetic acid N-hydroxysuccinimide ester
CAS No: 38678-58-9 Catalog No: AG003TOF MDL No:MFCD00057281
Product Description
Catalog Number:
AG003TOF
Chemical Name:
Phenoxyacetic acid N-hydroxysuccinimide ester
CAS Number:
38678-58-9
Molecular Formula:
C12H11NO5
Molecular Weight:
249.2194
MDL Number:
MFCD00057281
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 2-phenoxyacetate
InChI:
InChI=1S/C12H11NO5/c14-10-6-7-11(15)13(10)18-12(16)8-17-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
SMBVSRKAVRAVKU-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)COc1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.222g/mol
Monoisotopic Mass:
249.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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