AG003RSH

21188-58-9 | Methyl 3-hydroxyhexanoate

AG003RSH

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CAS Number	21188-58-9
Catalog Number	AG003RSH(AGN-PC-00NB3B)
Chemical Name	Methyl 3-hydroxyhexanoate
EC Number	244-261-0
FEMA Number	3508
IUPAC Name	methyl 3-hydroxyhexanoate
InChI	InChI=1S/C7H14O3/c1-3-4-6(8)5-7(9)10-2/h6,8H,3-5H2,1-2H3
InChI Key	ACCRBMDJCPPJDX-UHFFFAOYSA-N
MDL Number	MFCD00083583
Molecular Formula	C7H14O3
Molecular Weight	146.1843
SMILES	CCCC(O)CC(OC)=O
Synonyms	Methyl 3-hydroxyhexanoate, 21188-58-9, Methyl 3-hydroxycaproate, Hexanoic acid, 3-hydroxy-, methyl ester, 3-hydroxyhexanoic acid methyl ester, Hexanoic acid,3-hydroxy-, methyl ester, ACMC-20mbzt, ACMC-20an2h, methyl-3-hydroxyhexanoate, Methyl beta-hydroxycaproate, Methyl beta-hydroxyhexanoate, AC1LAT78, FEMA No. 3508, SCHEMBL1171425, CTK4E6050, FEMA 3508, ACCRBMDJCPPJDX-UHFFFAOYSA-N, 3-hydroxycaproic acid methyl ester, Methyl (+/-)-3-hydroxyhexanoate, BCP24425, KS-00000ZQ8, EINECS 244-261-0, AKOS015842809, Hexanoic acid,3-hydroxy-,methyl ester, Methyl 3-hydroxyhexanoate, >=97%, FG, AN-25022, TX-012423, FT-0628840, Methyl 3-hydroxyhexanoate, analytical standard, J-013906, I14-11270, UNII-8H646ZUC4E, 8H646ZUC4E, methyl (3R)-3-hydroxyhexanoate, CID519845, Methyl 3-hydroxyhexanoate, 98% - 100G 100g, Hexanoic acid, 3-hydroxy-, methyl ester, (3R)-, 109053-86-3,

Complexity	101
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.094g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	146.186g/mol
Monoisotopic Mass	146.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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