Home Other Building Blocks tert-butyl (6,6-dimethoxy-3-oxocyclohexa-1,4-dien-1-yl)carbamate

tert-butyl (6,6-dimethoxy-3-oxocyclohexa-1,4-dien-1-yl)carbamate

CAS No.:
175552-82-6
Catalog Number:
AG01DIC9
Molecular Formula:
C13H19NO5
Molecular Weight:
269.2937
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Product Description
Catalog Number:
AG01DIC9
Chemical Name:
tert-butyl (6,6-dimethoxy-3-oxocyclohexa-1,4-dien-1-yl)carbamate
CAS Number:
175552-82-6
Molecular Formula:
C13H19NO5
Molecular Weight:
269.2937
MDL Number:
MFCD24465646
IUPAC Name:
tert-butyl N-(6,6-dimethoxy-3-oxocyclohexa-1,4-dien-1-yl)carbamate
InChI:
InChI=1S/C13H19NO5/c1-12(2,3)19-11(16)14-10-8-9(15)6-7-13(10,17-4)18-5/h6-8H,1-5H3,(H,14,16)
InChI Key:
FYZDQTBBNXGNLN-UHFFFAOYSA-N
SMILES:
COC1(OC)C=CC(=O)C=C1NC(=O)OC(C)(C)C
Properties
Complexity:
427  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.126g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.297g/mol
Monoisotopic Mass:
269.126g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties