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54840-15-2 | tert-Butyl (4-hydroxyphenyl)carbamate
CAS No: 54840-15-2 Catalog No: AG003UIV MDL No:MFCD00226573
Product Description
Catalog Number:
AG003UIV
Chemical Name:
tert-Butyl (4-hydroxyphenyl)carbamate
CAS Number:
54840-15-2
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD00226573
IUPAC Name:
tert-butyl N-(4-hydroxyphenyl)carbamate
InChI:
InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h4-7,13H,1-3H3,(H,12,14)
InChI Key:
YRQMBQUMJFVZLF-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)O)OC(C)(C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Discovery of novel SERCA inhibitors by virtual screening of a large compound library. | European journal of medicinal chemistry 20110501 |
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