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1807542-96-6 | Cyclopentanemethanamine, 3,3-difluoro-, ethanedioate (1:1)
CAS No: 1807542-96-6 Catalog No: AG0022BV MDL No:MFCD28506176
Product Description
Catalog Number:
AG0022BV
Chemical Name:
Cyclopentanemethanamine, 3,3-difluoro-, ethanedioate (1:1)
CAS Number:
1807542-96-6
Molecular Formula:
C8H13F2NO4
Molecular Weight:
225.1899
MDL Number:
MFCD28506176
IUPAC Name:
(3,3-difluorocyclopentyl)methanamine;oxalic acid
InChI:
InChI=1S/C6H11F2N.C2H2O4/c7-6(8)2-1-5(3-6)4-9;3-1(4)2(5)6/h5H,1-4,9H2;(H,3,4)(H,5,6)
InChI Key:
DZAXQRCDULYIKC-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NCC1CCC(C1)(F)F
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.192g/mol
Monoisotopic Mass:
225.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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