2-Methoxy-3-methylbutanoic acid

CAT: 0926-RCA01825-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-RCA01825-01Size:50 mg

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CAS Number

66018-25-5

MDL Number

MFCD09947964

Smiles

CC (C) C (C (=O) O) OC

Molecular Formula

C6H12O3

Molecular Weight

132.16 g/mol

Controlled

Chemical Information

2-Methoxy-3-methylbutanoic acid

CAS Number	66018-25-5
PubChem CID	22362635
IUPAC Name	2-methoxy-3-methylbutanoic acid
Molecular Formula	C6H12O3
Molecular Weight	132.16
XLogP	1
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	98

SMILES

CC(C)C(C(=O)O)OC

InChI

InChI=1S/C6H12O3/c1-4(2)5(9-3)6(7)8/h4-5H,1-3H3,(H,7,8)

InChIKey

CRNWYNSIQHMCOB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66018-25-5

CID: 22362635

Formula: C6H12O3

MW: 132.16

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	132.16
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	132.078644241
Monoisotopic Mass	132.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	98.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HJA94055-01	2-Methoxy-2-methylbutanoic acid
GHA81948-01	3-Methoxy-3-methylbutanoic acid
AEA86221-01	4-Methoxy-3-methylbutanoic acid
KBA84141-01	4-Methoxy-2-methylbutanoic acid
EJB85193-01	3-Hydroxy-4-methoxy-3-methylbutanoic acid
GJB41792-01	2-{[ (tert-Butoxy) carbonyl]amino}-3-methoxy-3-methylbutanoic acid
YPD40381-01	3-Amino-4-methoxy-3-methylbutanoic acid hydrochloride
FM15957-01	3-Methylbutanoic acid
TEA52857-01	2- (Cyclohexylformamido) -3-methylbutanoic acid
RQB68685-01	2- (Benzylsulfanyl) -3-methylbutanoic acid

Catalog	Name
OR01485	2-Bromo-3-methoxy-3-methylbutanoic acid
HY-W001942-01	2-Methylbutanoic acid
MBS5751974	3-Methylbutanoic acid
OR1050045-01	(R) -2- (4-Methoxy-3- (3-methoxypropoxy) benzyl) -3-methylbutanoic acid
TYD-03319-01	2- (Ethoxycarbonyl) -3-methylbutanoic acid
014011	3-Hydroxy-2-methylbutanoic Acid
sc-340319	2- (isonicotinoylamino) -3-methylbutanoic acid
sc-342924A	2-methanesulfonamido-3-methylbutanoic acid
HY-W008150-01	2-Hydroxy-3-methylbutanoic acid
OR1039227-01	2-Benzyl-3-methylbutanoic acid