AG001M7W

150-96-9 | Pentanoic acid, 3-hydroxy-3-methyl-

AG001M7W

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CAS Number	150-96-9
Catalog Number	AG001M7W(AGN-PC-00LBE1)
Chemical Name	Pentanoic acid, 3-hydroxy-3-methyl-
IUPAC Name	3-hydroxy-3-methylpentanoic acid
InChI	InChI=1S/C6H12O3/c1-3-6(2,9)4-5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
InChI Key	KEGHVPSZIWXTPY-UHFFFAOYSA-N
MDL Number	MFCD00059657
Molecular Formula	C6H12O3
Molecular Weight	132.1577
SMILES	CCC(CC(O)=O)(O)C
Synonyms	150-96-9, 3-Hydroxy-3-methylpentanoic acid, 3-Hydroxy-3-methylvaleric acid, Pentanoic acid, 3-hydroxy-3-methyl-, 3-HYDROXY-3-METHYL-N-VALERIC ACID, KEGHVPSZIWXTPY-UHFFFAOYSA-N, Deoxymevalonic acid, AC1LBM71, AC1Q5VD1, 3-Methyl-3-hydroxypentansaure, SCHEMBL380313, 3-Hydroxy-3-methylvalericAcid, ACMC-209d58, CTK4C6832, KEGHVPSZIWXTPY-UHFFFAOYSA-, 3-hydroxy-3-methyl-pentanoic acid, KS-000014ZN, Pentanoic acid,3-hydroxy-3-methyl-, Valeric acid, 3-hydroxy-3-methyl-, ANW-21306, MFCD00059657, AKOS009158756, TC-110051, FT-0692186, 3-Hydroxy-3-methylpentanoic acid, AldrichCPR, I14-91634, B9278982-F9F4-4255-B616-51324AF0D155, InChI=1/C6H12O3/c1-3-6(2,9)4-5(7)8/h9H,3-4H2,1-2H3,(H,7,8), AR-1F3614, C6-H12-O3, CID538288, H0626, 15135-21-4,

Complexity	111
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	132.079g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	132.159g/mol
Monoisotopic Mass	132.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number