2,3-Dimethoxy-2-methylpropanoic acid

CAT: 0926-ZZB65058-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-ZZB65058-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1249650-58-5

MDL Number

MFCD16788329

Smiles

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

Molecular Formula

C6H12O4

Molecular Weight

148.16 g/mol

Controlled

Chemical Information

2,3-Dimethoxy-2-methylpropanoic acid

CAS Number	1249650-58-5
PubChem CID	59779897
IUPAC Name	2,3-dimethoxy-2-methylpropanoic acid
Molecular Formula	C6H12O4
Molecular Weight	148.16
XLogP	-0.3
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)O)OC

InChI

InChI=1S/C6H12O4/c1-6(10-3,4-9-2)5(7)8/h4H2,1-3H3,(H,7,8)

InChIKey

HNADYULRAQUUDI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1249650-58-5

CID: 59779897

Formula: C6H12O4

MW: 148.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.16
XLogP3	-0.3
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
YZB66678-01	3-Methanesulfinyl-2-methylpropanoic acid
GEA66491-01	3- (Benzylsulfanyl) -2-methylpropanoic acid
BCA95302-01	3-Cyclohexyl-2-methylpropanoic acid
TFA22495-01	3-Methanesulfonyl-2-methylpropanoic acid
UAA75827-01	3-Ethoxy-2-methylpropanoic acid
YDA07127-01	3-Carbamoyl-2-methylpropanoic acid
NKC96347-01	3-Cyclobutyl-2-methylpropanoic acid
GCA85057-01	3- (Benzyloxy) -2-methylpropanoic acid
KCA12930-01	3-Cyclopropyl-2-methylpropanoic acid
FA17189-01	3-Acetylthio-2-methylpropanoic acid

Catalog	Name
413379-01	2- (3-Bromophenyl) -2-methylpropanoic acid
sc-482199	2,3-Dibromo-2-methylpropanoic acid
PC902034-01	2- (3-Fluorophenyl) -2-methylpropanoic acid
413419-01	2- (3-Chlorophenyl) -2-methylpropanoic acid
sc-282571	2- (3-methoxyphenoxy) -2-methylpropanoic acid
sc-273815	2- (3-Methoxyphenyl) -2-methylpropanoic acid
OR1056912-01	2,3-Dihydroxy-2-methylpropanoic acid
sc-282560	2- (3-chlorophenoxy) -2-methylpropanoic acid
OR1042223-01	3- (2-Chlorophenyl) -2-methylpropanoic acid
PC107132	3- (2-Fluorophenyl) -2-methylpropanoic acid