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1419101-45-3 | Spiro[3.3]heptane-2-carboxylic acid, 6,6-difluoro-
CAS No: 1419101-45-3 Catalog No: AG001HDJ MDL No:MFCD23106456
Product Description
Catalog Number:
AG001HDJ
Chemical Name:
Spiro[3.3]heptane-2-carboxylic acid, 6,6-difluoro-
CAS Number:
1419101-45-3
Molecular Formula:
C8H10F2O2
Molecular Weight:
176.1606
MDL Number:
MFCD23106456
IUPAC Name:
2,2-difluorospiro[3.3]heptane-6-carboxylic acid
InChI:
InChI=1S/C8H10F2O2/c9-8(10)3-7(4-8)1-5(2-7)6(11)12/h5H,1-4H2,(H,11,12)
InChI Key:
XRVCRDQMFKNZJR-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2(C1)CC(C2)(F)F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.163g/mol
Monoisotopic Mass:
176.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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