Methyl 2-hydroxy-4-methoxybutanoate

CAT: 0926-LEC01770-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-LEC01770-01Size:50 mg

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CAS Number

1361017-70-0

Smiles

COCCC (C (=O) OC) O

Molecular Formula

C6H12O4

Molecular Weight

148.2 g/mol

Controlled

Chemical Information

Methyl 2-hydroxy-4-methoxybutanoate

CAS Number	1361017-70-0
PubChem CID	102200310
IUPAC Name	methyl 2-hydroxy-4-methoxybutanoate
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	5
Heavy Atom Count	10
Formal Charge	0
Complexity	102

SMILES

COCCC(C(=O)OC)O

InChI

InChI=1S/C6H12O4/c1-9-4-3-5(7)6(8)10-2/h5,7H,3-4H2,1-2H3

InChIKey

QRTJEZQSJSURPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1361017-70-0

CID: 102200310

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	5
Exact Mass	148.07355886
Monoisotopic Mass	148.07355886
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	102
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
FM130354-01	Methyl 4-methoxybutanoate
FDA10307-01	Methyl 2-amino-4-methoxybutanoate hydrochloride
YWC73765-01	Methyl 4-amino-3-methoxybutanoate hydrochloride
XMA39470-01	Ethyl 2-amino-4-methoxybutanoate hydrochloride
WCA77675-01	Methyl (2S,3R) -2-amino-3-methoxybutanoate hydrochloride
AAA12342-01	4-Hydroxy-4-methyl-2-pentanone
FM67704-01	Methyl 4-hydroxy-2-methylbenzoate
QBA34872-01	Methyl 2-hydroxy-4-methylvalerate
FH42036-01	2-Hydroxy-4-methyl-benzonitrile
DHA75850-01	Methyl 4-hydroxy-2-nitrobenzoate

Catalog	Name
OR1049661-01	Methyl (S) -3-hydroxy-4-methoxybutanoate
OR30755-01	Methyl 4-methoxybutanoate
PC250032-01	Methyl 4,4,4-trifluoro-3-methoxybutanoate
OR1040450-01	(2S,3R) -Methyl 2-chloro-3-methoxybutanoate
sc-238864	4-Hydroxy-4-methyl-2-pentanone
T9509-01	Methyl 2-hydroxy-4-methylvalerate
TRC-M219895-100MG	Methyl 2-Hydroxy-4-iodobenzoate
sc-269522	Methyl 4-hydroxy-2-hexynoate
OR957607-01	Methyl 4-hydroxy-2-methoxybenzoate
OR18576-01	Methyl 2-hydroxy-4-nitrobenzoate