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3426-71-9 | Benzyl hydroxycarbamate
CAS No: 3426-71-9 Catalog No: AG003O4H MDL No:MFCD00010642
Product Description
Catalog Number:
AG003O4H
Chemical Name:
Benzyl hydroxycarbamate
CAS Number:
3426-71-9
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00010642
IUPAC Name:
benzyl N-hydroxycarbamate
InChI:
InChI=1S/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
InChI Key:
PQBSPTAPCMSZAA-UHFFFAOYSA-N
SMILES:
ONC(=O)OCc1ccccc1
EC Number:
918-213-0
NSC Number:
528506
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Inhibitors of bacterial N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) and demonstration of in vitro antimicrobial activity. | Bioorganic & medicinal chemistry letters 20091115 |
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