AG003AGK

171549-92-1 | Rel-tert-butyl n-[(1r,3r)-3-formylcyclobutyl]carbamate

AG003AGK

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CAS Number	171549-92-1
Catalog Number	AG003AGK(AGN-PC-0WNGUB)
Chemical Name	Rel-tert-butyl n-[(1r,3r)-3-formylcyclobutyl]carbamate
IUPAC Name	tert-butyl N-(3-formylcyclobutyl)carbamate
InChI	InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-8-4-7(5-8)6-12/h6-8H,4-5H2,1-3H3,(H,11,13)
InChI Key	KHXUZWUXKMBGES-UHFFFAOYSA-N
MDL Number	MFCD28403246
Molecular Formula	C10H17NO3
Molecular Weight	199.2469
SMILES	C(=O)[C@@H]1C[C@H](C1)NC(OC(C)(C)C)=O
Synonyms	171549-91-0, 171549-92-1, tert-butyl N-(3-formylcyclobutyl)carbamate, rel-tert-butyl N-[(1r,3r)-3-formylcyclobutyl]carbamate, rel-tert-butyl N-[(1s,3s)-3-formylcyclobutyl]carbamate, 1067239-06-8, tert-Butyl (trans-3-formylcyclobutyl)carbamate, tert-Butyl (cis-3-formylcyclobutyl)carbamate, SCHEMBL1873410, SCHEMBL1873412, SCHEMBL8273062, SCHEMBL13920528, cis-Boc-3-formyl-cyclobutanamine, KHXUZWUXKMBGES-ZKCHVHJHSA-N, trans-Boc-3-formyl-cyclobutanamine, MFCD28403245, MFCD28403246, ZINC39091260, Carbamic acid, (3-formylcyclobutyl)-, 1,1-dimethylethyl ester, cis- (9CI), ZINC100047680, ZINC117386865, SB16273, SB16274, SB16275, AS-53296, AS-53297, CS-0048711, CS-0048712, KS-00000625, KS-00000626, tert-Butyl N-cis-(3-formylcyclobutyl)carbamate, (3-Formyl-cyclobutyl)-carbamic acid tert-butyl ester, Rel-t-butyl N-[(1R,3R)-3-formylcyclobutyl]carbamate, Rel-t-butyl N-[(1S,3S)-3-formylcyclobutyl]carbamate, trans-(3-Formyl-cyclobutyl)-carbamic acid tert-butyl ester, Carbamic acid, N-(trans-3-formylcyclobutyl)-, 1,1-dimethylethyl ester, (3-Formyl-cyclobutyl)-carbamicacidtert-butylester, Carbamic acid, (3-formylcyclobutyl)-, 1,1-dimethylethyl ester, trans- (9CI),

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.121g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	199.25g/mol
Monoisotopic Mass	199.121g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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