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129822-42-0 | Carbamic acid, N-(4-methoxy-2-methylphenyl)-, 1,1-dimethylethyl ester
CAS No: 129822-42-0 Catalog No: AG000TPM MDL No:MFCD11045029
Product Description
Catalog Number:
AG000TPM
Chemical Name:
Carbamic acid, N-(4-methoxy-2-methylphenyl)-, 1,1-dimethylethyl ester
CAS Number:
129822-42-0
Molecular Formula:
C13H19NO3
Molecular Weight:
237.2949
MDL Number:
MFCD11045029
IUPAC Name:
tert-butyl N-(4-methoxy-2-methylphenyl)carbamate
InChI:
InChI=1S/C13H19NO3/c1-9-8-10(16-5)6-7-11(9)14-12(15)17-13(2,3)4/h6-8H,1-5H3,(H,14,15)
InChI Key:
GGSUHLGRMHQMPY-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C)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:
2.7
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