Home Carboxys 7,7-dimethyl-4-oxo-4H,5H,6H,7H,8H-furo[3,2-c]azepine-3-carboxylic acid

7,7-dimethyl-4-oxo-4H,5H,6H,7H,8H-furo[3,2-c]azepine-3-carboxylic acid

CAS No.:
2060000-52-2
Catalog Number:
AG01BRZV
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
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Product Description
Catalog Number:
AG01BRZV
Chemical Name:
7,7-dimethyl-4-oxo-4H,5H,6H,7H,8H-furo[3,2-c]azepine-3-carboxylic acid
CAS Number:
2060000-52-2
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD30535983
IUPAC Name:
7,7-dimethyl-4-oxo-6,8-dihydro-5H-furo[3,2-c]azepine-3-carboxylic acid
InChI:
InChI=1S/C11H13NO4/c1-11(2)3-7-8(9(13)12-5-11)6(4-16-7)10(14)15/h4H,3,5H2,1-2H3,(H,12,13)(H,14,15)
InChI Key:
LYXVYRMRZCHSSF-UHFFFAOYSA-N
SMILES:
O=C1NCC(Cc2c1c(co2)C(=O)O)(C)C
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties