Home Carboxys 7,7-difluoro-2-oxabicyclo[4.1.0]heptane-1-carboxylic acid

7,7-difluoro-2-oxabicyclo[4.1.0]heptane-1-carboxylic acid

CAS No.:
1955548-76-1
Catalog Number:
AG01B5HX
Molecular Formula:
C7H8F2O3
Molecular Weight:
178.1334
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Product Description
Catalog Number:
AG01B5HX
Chemical Name:
7,7-difluoro-2-oxabicyclo[4.1.0]heptane-1-carboxylic acid
CAS Number:
1955548-76-1
Molecular Formula:
C7H8F2O3
Molecular Weight:
178.1334
MDL Number:
MFCD30181092
IUPAC Name:
7,7-difluoro-2-oxabicyclo[4.1.0]heptane-1-carboxylic acid
InChI:
InChI=1S/C7H8F2O3/c8-7(9)4-2-1-3-12-6(4,7)5(10)11/h4H,1-3H2,(H,10,11)
InChI Key:
UDPRWNCDCYXBRH-UHFFFAOYSA-N
SMILES:
OC(=O)C12OCCCC1C2(F)F
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.044g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.135g/mol
Monoisotopic Mass:
178.044g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties