AG0037XY

170299-61-3 | Tert-Butyl Cis-(2-Hydroxymethyl)Cyclopropylcarbamate

AG0037XY

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CAS Number	170299-61-3
Catalog Number	AG0037XY(AGN-PC-0Q9NE9)
Chemical Name	Tert-Butyl Cis-(2-Hydroxymethyl)Cyclopropylcarbamate
IUPAC Name	tert-butyl N-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]carbamate
InChI	InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-7-4-6(7)5-11/h6-7,11H,4-5H2,1-3H3,(H,10,12)/t6-,7-/m1/s1
InChI Key	OCKKMJSVLVALMF-RNFRBKRXSA-N
MDL Number	MFCD03844611
Molecular Formula	C9H17NO3
Molecular Weight	187.2362
SMILES	OC[C@H]1C[C@H]1NC(=O)OC(C)(C)C
Synonyms	170299-61-3, TERT-BUTYL CIS-(2-HYDROXYMETHYL)CYCLOPROPYLCARBAMATE, CIS-1-(BOC-AMINO)-2-(HYDROXYMETHYL)CYCLOPROPANE, tert-Butyl cis-(2-hydroxymethyl)-cyclopropylcarbamate, MFCD03844611, tert-butyl N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]carbamate, 177472-60-5, SCHEMBL13089691, CTK8F0900, DTXSID10641004, KS-000025WE, 5489AD, ZINC36040105, AKOS006278144, AJ-92345, AS-42482, RT-015951, CS-0056030, FT-0081452, FT-0651008, K-5256, A1-00100, tert-butyl (1R,2S)-2-(hydroxymethyl)cyclopropylcarbamate, tert-Butyl [(1R,2S)-2-(hydroxymethyl)cyclopropyl]carbamate, 2-Methyl-2-propanyl [(1R,2S)-2-(hydroxymethyl)cyclopropyl]carbamate, C9H17NO3, 1-(1-hydroxycyclohexyl)-3,3-dimethylbutan-2-one, tert-butyl N-[(1S,2R)-rel-2-(hydroxymethyl)cyclopropyl]carbamate, 162129-49-9, Carbamic acid, [2-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester, (1R-, Carbamic acid, [2-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester, cis-,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	187.121g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	187.239g/mol
Monoisotopic Mass	187.121g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

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