Home Other Building Blocks 5-OXO-4H,5H,6H,7H,8H-FURO[3,2-B]AZEPINE-3-CARBOXYLIC ACID

5-OXO-4H,5H,6H,7H,8H-FURO[3,2-B]AZEPINE-3-CARBOXYLIC ACID

CAS No.:
180340-64-1
Catalog Number:
AG01DYYV
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
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Product Description
Catalog Number:
AG01DYYV
Chemical Name:
5-OXO-4H,5H,6H,7H,8H-FURO[3,2-B]AZEPINE-3-CARBOXYLIC ACID
CAS Number:
180340-64-1
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD20641976
IUPAC Name:
5-oxo-4,6,7,8-tetrahydrofuro[3,2-b]azepine-3-carboxylic acid
InChI:
InChI=1S/C9H9NO4/c11-7-3-1-2-6-8(10-7)5(4-14-6)9(12)13/h4H,1-3H2,(H,10,11)(H,12,13)
InChI Key:
FJXIXGUIQHTUSS-UHFFFAOYSA-N
SMILES:
O=C1CCCc2c(N1)c(co2)C(=O)O
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties