Home Other Building Blocks tert-butyl N-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)carbamate

tert-butyl N-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)carbamate

CAS No.:
1314406-17-1
Catalog Number:
AG01BB69
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
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Product Description
Catalog Number:
AG01BB69
Chemical Name:
tert-butyl N-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)carbamate
CAS Number:
1314406-17-1
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD22574017
IUPAC Name:
tert-butyl N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)carbamate
InChI:
InChI=1S/C16H21NO4/c1-15(2,3)21-14(19)17-10-6-7-13-11(8-10)12(18)9-16(4,5)20-13/h6-8H,9H2,1-5H3,(H,17,19)
InChI Key:
CSHUZZOEMAXPRY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc2c(c1)C(=O)CC(O2)(C)C
Properties
Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties