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78348-28-4 | Nicotinic Acid N-Hydroxysuccinimide Ester
CAS No: 78348-28-4 Catalog No: AG005BGL MDL No:MFCD00619111
Product Description
Catalog Number:
AG005BGL
Chemical Name:
Nicotinic Acid N-Hydroxysuccinimide Ester
CAS Number:
78348-28-4
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
MDL Number:
MFCD00619111
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate
InChI:
InChI=1S/C10H8N2O4/c13-8-3-4-9(14)12(8)16-10(15)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2
InChI Key:
CWBHSNGMXKJGSM-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1OC(=O)c1cccnc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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