Home Carboxys tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate hydrate

tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate hydrate

CAS No.:
1955548-89-6
Catalog Number:
AG01B2G7
Molecular Formula:
C10H18FNO4
Molecular Weight:
235.2526
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Product Description
Catalog Number:
AG01B2G7
Chemical Name:
tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate hydrate
CAS Number:
1955548-89-6
Molecular Formula:
C10H18FNO4
Molecular Weight:
235.2526
MDL Number:
MFCD29991599
IUPAC Name:
tert-butyl 3-fluoro-4-oxopiperidine-1-carboxylate;hydrate
InChI:
InChI=1S/C10H16FNO3.H2O/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12;/h7H,4-6H2,1-3H3;1H2
InChI Key:
VZJUORFVYPQUAN-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1F)C(=O)OC(C)(C)C.O
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.122g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.255g/mol
Monoisotopic Mass:
235.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties