2-Isobutoxyacetic acid

CAT: 0127-OR1052671-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1052671-01Size:250 mg

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CAS Number

24133-46-8

MDL Number

MFCD03425725

Purity

95%

Smiles

O=C(O)COCC(C)C

Chemical Information

2-(2-Methylpropoxy)acetic acid

CAS Number	24133-46-8
PubChem CID	2763534
IUPAC Name	2-(2-methylpropoxy)acetic 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	4
Heavy Atom Count	9
Formal Charge	0
Complexity	88

SMILES

CC(C)COCC(=O)O

InChI

InChI=1S/C6H12O3/c1-5(2)3-9-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

InChIKey

RJZXMJIGAJFDRS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24133-46-8

CID: 2763534

Formula: C6H12O3

MW: 132.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.16
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	132.078644241
Monoisotopic Mass	132.078644241
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	88.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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OR64743	2,2-Dibromopropanoic acid
OR1072110-01	2,2-Dipropylpentanoic acid
PC106881	2,2-Difluorohexanoic acid
PC1055-01	2,2-Difluorobutanoic acid

Catalog	Name
HY-W125188-01	2-Isobutoxyacetic acid
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
MBS6054549-01	2-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
TRC-N345640-5G	2-Naphthoic Acid (2-Naphthalenecarboxylic Acid)
A0536-45	2-Acetylthioisobutyric Acid ((2-Acetylthio) -2-methylpropanoic Acid)
MBS6023740-01	2-Acetylthioisobutyric Acid ((2-Acetylthio)-2-methylpropanoic Acid)
AR-V01417-01	Vildagliptin carboxylic acid 2,2,2-trifluoroacetic acid
14633379-250g	Homophthalic acid (2-Carboxyphenylacetic acid)
214461	2-Propylvaleric Acid (Valproic Acid)
FD29145-01	2,2-Dimethylsuccinic acid