Home Carboxys 4-(fluoromethyl)oxane-4-carboxylic acid

4-(fluoromethyl)oxane-4-carboxylic acid

CAS No.:
1551177-72-0
Catalog Number:
AG01BCF5
Molecular Formula:
C7H11FO3
Molecular Weight:
162.1588
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Product Description
Catalog Number:
AG01BCF5
Chemical Name:
4-(fluoromethyl)oxane-4-carboxylic acid
CAS Number:
1551177-72-0
Molecular Formula:
C7H11FO3
Molecular Weight:
162.1588
MDL Number:
MFCD28605468
IUPAC Name:
4-(fluoromethyl)oxane-4-carboxylic acid
InChI:
InChI=1S/C7H11FO3/c8-5-7(6(9)10)1-3-11-4-2-7/h1-5H2,(H,9,10)
InChI Key:
DWUGJEHXFKHTNY-UHFFFAOYSA-N
SMILES:
FCC1(CCOCC1)C(=O)O
Properties
Complexity:
152  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.069g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.16g/mol
Monoisotopic Mass:
162.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties