AG000JFH

122763-67-1 | 4-Pentenoic acid, 3-hydroxy-, 1,1-dimethylethyl ester

AG000JFH

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CAS Number	122763-67-1
Catalog Number	AG000JFH(AGN-PC-00FSAH)
Chemical Name	4-Pentenoic acid, 3-hydroxy-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-hydroxypent-4-enoate
InChI	InChI=1S/C9H16O3/c1-5-7(10)6-8(11)12-9(2,3)4/h5,7,10H,1,6H2,2-4H3
InChI Key	OBFPCKWYDQCBHO-UHFFFAOYSA-N
MDL Number	MFCD18207180
Molecular Formula	C9H16O3
Molecular Weight	172.2215
SMILES	OC(CC(=O)OC(C)(C)C)C=C
Synonyms	Tert-butyl 3-hydroxypent-4-enoate, 122763-67-1, 3-hydroxy-4-pentenoic acid tert-butyl ester, 4-Pentenoic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3S)-3-Hydroxy-4-pentenoic acid tert-butyl ester, SCHEMBL622318, CTK8B6707, DTXSID90472090, OBFPCKWYDQCBHO-UHFFFAOYSA-N, ZX-RL000676, 2564AD, ANW-54098, MFCD18207180, AKOS016001383, ACN-036665, SS-4562, AK-98688, OR303186, SC-52358, AB0052347, TC-142843, CS-0005933, ST24025896, C9H16O3, (R)-tert-butyl 3-hydroxypent-4-enoate, CID11769016, 220861-37-0, 1040390-31-5,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.11g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.224g/mol
Monoisotopic Mass	172.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
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

Certificate of Analysis

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