Home Carboxys 9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylic acid

9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylic acid

CAS No.:
1333639-36-3
Catalog Number:
AG01AIMW
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
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Product Description
Catalog Number:
AG01AIMW
Chemical Name:
9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylic acid
CAS Number:
1333639-36-3
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
MDL Number:
MFCD19982347
IUPAC Name:
9-oxo-3-oxabicyclo[3.3.1]nonane-7-carboxylic acid
InChI:
InChI=1S/C9H12O4/c10-8-6-1-5(9(11)12)2-7(8)4-13-3-6/h5-7H,1-4H2,(H,11,12)
InChI Key:
SARGJTLSEWZNCL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2COCC(C1)C2=O
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties