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164082-77-3 | Carbamic acid, N-(3-methoxy-2-methylphenyl)-, 1,1-dimethylethyl ester
CAS No: 164082-77-3 Catalog No: AG001ULY MDL No:MFCD09833266
Product Description
Catalog Number:
AG001ULY
Chemical Name:
Carbamic acid, N-(3-methoxy-2-methylphenyl)-, 1,1-dimethylethyl ester
CAS Number:
164082-77-3
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
MDL Number:
MFCD09833266
IUPAC Name:
tert-butyl N-(3-methoxy-2-methylphenyl)carbamate
InChI:
InChI=1S/C13H19NO3/c1-9-10(7-6-8-11(9)16-5)14-12(15)17-13(2,3)4/h6-8H,1-5H3,(H,14,15)
InChI Key:
RZZFTOJEHIRCRK-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C)NC(=O)OC(C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.299g/mol
Monoisotopic Mass:
237.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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