Methyl 2-hydroxy-3-methoxy-2-methylpropanoate

CAT: 0926-XZB75622-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-XZB75622-01Size:100 mg

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CAS Number

1247756-22-4

MDL Number

MFCD16788620

Smiles

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

Molecular Formula

C6H12O4

Molecular Weight

148.16 g/mol

Controlled

Chemical Information

Methyl 2-hydroxy-3-methoxy-2-methylpropanoate

CAS Number	1247756-22-4
PubChem CID	54595579
IUPAC Name	methyl 2-hydroxy-3-methoxy-2-methylpropanoate
Molecular Formula	C6H12O4
Molecular Weight	148.16
XLogP	-0.5
Topological Polar Surface Area	55.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	123

SMILES

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

InChI

InChI=1S/C6H12O4/c1-6(8,4-9-2)5(7)10-3/h8H,4H2,1-3H3

InChIKey

VOTPXWASQHYOEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1247756-22-4

CID: 54595579

Formula: C6H12O4

MW: 148.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.16
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	148.07355886
Monoisotopic Mass	148.07355886
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	123
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
SAA86039-01	Methyl 2-methoxy-2-methylpropanoate
HDA27054-01	Methyl 3-bromo-2-methoxy-2-methylpropanoate
ECA05105-01	Methyl 3-chloro-2-hydroxy-2-methylpropanoate
YZB49218-01	Methyl 2-hydroxy-3- (2-methoxyphenyl) -2-methylpropanoate
LIC70935-01	Methyl 3-amino-2-hydroxy-2-methylpropanoate hydrochloride
PDA50037	Methyl 2-amino-3-hydroxy-2-methylpropanoate hydrochloride
ABA05541-01	Methyl 3-[ (3-methoxy-2-methyl-3-oxopropyl) disulfanyl]-2-methylpropanoate
FJC95174-01	Methyl 3- (3,5-difluorophenoxy) -2-hydroxy-2-methylpropanoate
PDA53452-01	Ethyl 3-hydroxy-2-methylpropanoate
RHA11061-01	Methyl 2-{[ (tert-butoxy) carbonyl]amino}-3-hydroxy-2-methylpropanoate

Catalog	Name
TN9592-01	Methyl 3-hydroxy-2-methylpropanoate
TRC-M355798-100MG	Methyl 2-Methoxy-2-methylpropanoate
TRC-M211070-5G	Methyl 2-Hydroxy-2-methylpropanoate
OR75794	(S) -Methyl 3-hydroxy-2-methylpropanoate
OR76496-01	Methyl 2-amino-3-hydroxy-2-methylpropanoate hydrochloride
OR1098531-01	Methyl 2- (3-chlorophenoxy) -2-methylpropanoate
OR96610-01	Methyl 2- (3-bromophenyl) -2-methylpropanoate
PC111027-01	Methyl 2- (3-fluorophenyl) -2-methylpropanoate
OR1054820-01	Methyl 2- (3-methoxyphenyl) -2-methylpropanoate
OR81673-01	Methyl 2- (3-chlorophenyl) -2-methylpropanoate