AG003HE1

4026-18-0 | 2-Hydroxy-3-methylbutanoic Acid

AG003HE1

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CAS Number	4026-18-0
Catalog Number	AG003HE1(AGN-PC-0JM3UB)
Chemical Name	2-Hydroxy-3-methylbutanoic Acid
IUPAC Name	2-hydroxy-3-methylbutanoic acid
InChI	InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)
InChI Key	NGEWQZIDQIYUNV-UHFFFAOYSA-N
MDL Number	MFCD00004242
Molecular Formula	C5H10O3
Molecular Weight	118.1311
NSC Number	227884
SMILES	CC(C)C(O)C(O)=O
Synonyms	2-hydroxyisovalerate, 2-hydroxyisovaleric acid, 2-hydroxyisovaleric acid, (R)-isomer, 2-hydroxyisovaleric acid, (S)-isomer, 2-hydroxyisovaleric acid, calcium (2:1) salt, 2-hydroxyisovaleric acid, monosodium salt, (S)-isomer, alpha-hydroxyisovaleric acid, 2-Hydroxy-3-methylbutanoic acid, 2-Hydroxy-3-methylbutyric acid, 4026-18-0, 2-Hydroxyisovaleric acid, alpha-hydroxyisovaleric acid, 2-Oxyisovaleric acid, 3-Methyl-2-hydroxybutyric acid, Butanoic acid, 2-hydroxy-3-methyl-, 2-Hydroxyisopentanoic acid, NSC 227884, DL-2-Hydroxyisovaleric acid, 600-37-3, 2-Oxyisovalerate, CHEBI:60645, NGEWQZIDQIYUNV-UHFFFAOYSA-N, DL-2-Hydroxy-3-methylbutanoic acid, 2-Hydroxyisovalerate, MFCD00004242, A-hydroxyisovalerate, 2-Hydroxyisopentanoate, alpha-hydroxyisovalerate, DL-a-hydroxyisovalerate, DL-2-Hydroxyisovalerate, DL-alpha-hydroxyisovalerate, 2-Hydroxy-3-methylbutyrate, 3-Methyl-2-hydroxybutyrate, DL-2-Hydroxy-3-methylbutanoate, EINECS 209-994-2, EINECS 223-697-5, (1)-2-Hydroxy-3-methylbutyric acid, NSC227884, A-hydroxyisovaleric acid, ACMC-1AFVL, ACMC-209e7s, DL-a-hydroxyisovaleric acid, AC1Q5SQ0, SCHEMBL43434, DL-|A-Hydroxyisovaleric Acid, DL-alpha-hydroxyisovaleric acid, Jsp006963, CHEMBL1162479, CTK1D8386, KS-00000JTS, NGEWQZIDQIYUNV-UHFFFAOYSA-, 2-Hydroxy-3-methyl butyric acid, 2-hydroxy-3-methyl-butanoic acid, 3-methyl-2-oxidanyl-butanoic acid, 2-Hydroxy-3-methylbutanoic acid #, AC1L4164, LMFA01050478, AKOS000278106, AKOS016182980, 2-Hydroxy-3-methylbutyric acid, 99%, CS-W008150, HY-W008150, MCULE-6517225229, NSC-227884, TRA0077907, VZ24730, AK105142, AK140040, AK146081, AS-12349, SC-08874, AB0011780, Butanoic acid,2-hydroxy-3-methyl-,(2R)-, DB-021168, TC-170542, FT-0635106, FT-0691710, ST24040671, ST50758692, V3799, K-8603, 026H180, A825017, W-106368, ( inverted exclamation markA)-2-Hydroxyisovaleric Acid, I04-10012, ( inverted exclamation markA)-|A-Hydroxyisovaleric acid, ( inverted exclamation markA)-2-Hydroxyisopentanoic Acid, ( inverted exclamation markA)-2-Hydroxy-3-methylbutyric acid, InChI=1/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8), |A-Hydroxyisovaleric acid, UNII-02X1W97FWN, 2-hydroxy-3-methylbutanoate, D-alpha-Hydroxyisovaleric acid, C5H10O3, (R)-2-hydroxy-3-methylbutanoic acid, 02X1W97FWN, (S)-2-Hydroxy-3-methylbutanoic acid, 2-hydroxy-3-methyl-butyric acid, CID99823, FA(5:0(OH)), AR-1E2626, C5-H10-O3, DL-ALPHA-HYDROXYISOVALERICACID, 2-HYDROXY-3-METHYLBUTYRICACID, (+-)-2-hydroxy-3-methylbutyric acid, ACN-052915, (S)-(+)-2-Hydroxy-3-methylbutyric acid, 17407-56-6, 17407-55-5, 108078-14-4, 61-76-7,

Complexity	87.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.063g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	118.132g/mol
Monoisotopic Mass	118.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number