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102421-43-2 | Carbamic acid, N-(3,4-dimethoxyphenyl)-, 1,1-dimethylethyl ester
CAS No: 102421-43-2 Catalog No: AG0007F0 MDL No:
Product Description
Catalog Number:
AG0007F0
Chemical Name:
Carbamic acid, N-(3,4-dimethoxyphenyl)-, 1,1-dimethylethyl ester
CAS Number:
102421-43-2
Molecular Formula:
C13H19NO4
Molecular Weight:
253.2943
IUPAC Name:
tert-butyl N-(3,4-dimethoxyphenyl)carbamate
InChI:
InChI=1S/C13H19NO4/c1-13(2,3)18-12(15)14-9-6-7-10(16-4)11(8-9)17-5/h6-8H,1-5H3,(H,14,15)
InChI Key:
RBNWQLLDIHMYTK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)NC(=O)OC(C)(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.298g/mol
Monoisotopic Mass:
253.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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