Home Other Building Blocks 2,2-difluoro-2-(oxan-4-yl)acetic acid

2,2-difluoro-2-(oxan-4-yl)acetic acid

CAS No.:
1048963-34-3
Catalog Number:
AG01BDB0
Molecular Formula:
C7H10F2O3
Molecular Weight:
180.1493
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Product Description
Catalog Number:
AG01BDB0
Chemical Name:
2,2-difluoro-2-(oxan-4-yl)acetic acid
CAS Number:
1048963-34-3
Molecular Formula:
C7H10F2O3
Molecular Weight:
180.1493
MDL Number:
MFCD20659124
IUPAC Name:
2,2-difluoro-2-(oxan-4-yl)acetic acid
InChI:
InChI=1S/C7H10F2O3/c8-7(9,6(10)11)5-1-3-12-4-2-5/h5H,1-4H2,(H,10,11)
InChI Key:
KSQYYBYUWBXIBC-UHFFFAOYSA-N
SMILES:
OC(=O)C(C1CCOCC1)(F)F
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.06g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.151g/mol
Monoisotopic Mass:
180.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties