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tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate

tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate - CAS 1400264-85-8

Catalog:	BB009022
Product Name:	tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate
CAS:	1400264-85-8
Synonyms:	tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;hydrate

Technical Data

Computed Properties

IUPAC Name:	tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;hydrate
Description:	tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate (CAS# 1400264-85-8) is a useful research chemical.
Molecular Weight:	253.24
Molecular Formula:	C10H17F2NO4
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(=O)C(C1)(F)F.O
InChI:	InChI=1S/C10H15F2NO3.H2O/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13;/h4-6H2,1-3H3;1H2
InChI Key:	IEESRSKOIOREKD-UHFFFAOYSA-N
Purity:	97.0 %
Storage:	Sealed in dry, 2-8 °C

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Complexity:	310
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.11256435
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.11256435
Rotatable Bond Count:	2
Topological Polar Surface Area:	47.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0