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1627998-04-2 | "2-(4,4-difluoropiperidin-1-yl)acetic acid"
CAS No: 1627998-04-2 Catalog No: AG01FMOG MDL No:MFCD30011128
Product Description
Catalog Number:
AG01FMOG
Chemical Name:
"2-(4,4-difluoropiperidin-1-yl)acetic acid"
CAS Number:
1627998-04-2
Molecular Formula:
C7H11F2NO2
Molecular Weight:
179.1645
MDL Number:
MFCD30011128
IUPAC Name:
2-(4,4-difluoropiperidin-1-yl)acetic acid
InChI:
InChI=1S/C7H11F2NO2/c8-7(9)1-3-10(4-2-7)5-6(11)12/h1-5H2,(H,11,12)
InChI Key:
UGJLASMURDCZAZ-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCC(CC1)(F)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.076g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.167g/mol
Monoisotopic Mass:
179.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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