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119930-83-5 | Carbamic acid, (2-methylphenoxy)-, 1,1-dimethylethyl ester (9CI)
CAS No: 119930-83-5 Catalog No: AG000PVG MDL No:
Product Description
Catalog Number:
AG000PVG
Chemical Name:
Carbamic acid, (2-methylphenoxy)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
119930-83-5
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
tert-butyl N-(2-methylphenoxy)carbamate
InChI:
InChI=1S/C12H17NO3/c1-9-7-5-6-8-10(9)16-13-11(14)15-12(2,3)4/h5-8H,1-4H3,(H,13,14)
InChI Key:
IAKUHSSQYQALJJ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NOc1ccccc1C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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