Home Carboxys 7-oxabicyclo[2.2.1]heptane-1-carboxylic acid

7-oxabicyclo[2.2.1]heptane-1-carboxylic acid

CAS No.:
1706450-79-4
Catalog Number:
AG01BXV3
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
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Product Description
Catalog Number:
AG01BXV3
Chemical Name:
7-oxabicyclo[2.2.1]heptane-1-carboxylic acid
CAS Number:
1706450-79-4
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD28122800
IUPAC Name:
7-oxabicyclo[2.2.1]heptane-1-carboxylic acid
InChI:
InChI=1S/C7H10O3/c8-6(9)7-3-1-5(10-7)2-4-7/h5H,1-4H2,(H,8,9)
InChI Key:
XUOHEKMIZPOOOI-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCC(O2)CC1
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties