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76570-49-5 | Carbamic acid,phenoxy-, 1,1-dimethylethyl ester (9CI)
CAS No: 76570-49-5 Catalog No: AG005KGQ MDL No:
Product Description
Catalog Number:
AG005KGQ
Chemical Name:
Carbamic acid,phenoxy-, 1,1-dimethylethyl ester (9CI)
CAS Number:
76570-49-5
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
tert-butyl N-phenoxycarbamate
InChI:
InChI=1S/C11H15NO3/c1-11(2,3)14-10(13)12-15-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChI Key:
DENBTQJQFYSSDU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NOc1ccccc1
Properties
Complexity:
204
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:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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