AG003UK7

59854-12-5 | Tert-Butyl 4-Hydroxybutyrate

AG003UK7

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CAS Number	59854-12-5
Catalog Number	AG003UK7(AGN-PC-0NLXLT)
Chemical Name	Tert-Butyl 4-Hydroxybutyrate
IUPAC Name	tert-butyl 4-hydroxybutanoate
InChI	InChI=1S/C8H16O3/c1-8(2,3)11-7(10)5-4-6-9/h9H,4-6H2,1-3H3
InChI Key	RXGFTUPFXKYRMW-UHFFFAOYSA-N
MDL Number	MFCD02684391
Molecular Formula	C8H16O3
Molecular Weight	160.2108
SMILES	OCCCC(=O)OC(C)(C)C
Synonyms	tert-Butyl 4-hydroxybutanoate, 59854-12-5, tert-Butyl-4-hydroxybutyrate, tert-Butyl 4-hydroxybutyrate, 4-Hydroxy-butyric acid tert-butyl ester, 4-hydroxybutanoic acid tert-butyl ester, ACMC-20ajl2, SCHEMBL473225, Tert-Butyl?4-Hydroxybutanoate, CTK5B0601, DTXSID30649820, RXGFTUPFXKYRMW-UHFFFAOYSA-N, 8916AB, MFCD02684391, ZINC14444660, AKOS015892800, CS-W020459, QC-9839, AJ-64862, AK113379, AS-37078, OR313037, SC-69292, SY039680, AB0069626, AX8152938, ST2413916, TC-165053, 4CH-016507, FT-0715396, MFCD02684391 (97%), tert-Butyl 4-hydroxybutyrate, >=95.0% (GC), X-1259, Butanoic acid, 4-hydroxy-, 1,1-dimethylethyl ester, I04-1174, tert-Butyl4-hydroxybutanoate, C8H16O3, ACN-039680,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.11g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	160.213g/mol
Monoisotopic Mass	160.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H319
Precuationary statements	P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number