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1807558-16-2 | methylcis-2-aminocyclobutane-1-carboxylate;trifluoroaceticacid
CAS No: 1807558-16-2 Catalog No: AG0022BN MDL No:MFCD29921769
Product Description
Catalog Number:
AG0022BN
Chemical Name:
methylcis-2-aminocyclobutane-1-carboxylate;trifluoroaceticacid
CAS Number:
1807558-16-2
Molecular Formula:
C8H12F3NO4
Molecular Weight:
243.1804
MDL Number:
MFCD29921769
IUPAC Name:
methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C6H11NO2.C2HF3O2/c1-9-6(8)4-2-3-5(4)7;3-2(4,5)1(6)7/h4-5H,2-3,7H2,1H3;(H,6,7)/t4-,5+;/m1./s1
InChI Key:
FIOCTXILUVEPRM-JBUOLDKXSA-N
SMILES:
OC(=O)C(F)(F)F.COC(=O)[C@@H]1CC[C@@H]1N
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
243.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.182g/mol
Monoisotopic Mass:
243.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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