Isopropylmalonic acid

CAT: 0127-OR904864-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR904864-01Size:1 g

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CAS Number

601-79-6

MDL Number

MFCD00021717

Purity

95%

Smiles

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

Chemical Information

Isopropylmalonic acid

CAS Number	601-79-6
PubChem CID	69037
IUPAC Name	2-propan-2-ylpropanedioic acid
Molecular Formula	C6H10O4
Molecular Weight	146.14
XLogP	0.9
Topological Polar Surface Area	74.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	136

SMILES

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

InChI

InChI=1S/C6H10O4/c1-3(2)4(5(7)8)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)

InChIKey

DQEUFPARIOFOAI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 601-79-6

CID: 69037

Formula: C6H10O4

MW: 146.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	146.14
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	146.05790880
Monoisotopic Mass	146.05790880
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136
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
BUP01815-01	2-Isopropylmalic acid
OR1071368-01	Acid-apeg6-acid
BIM1576-01	Okadaic acid, free acid
BIFK0050-01	Carnosic Acid, Free Acid
BIF6400-01	Fusidic acid, free acid
BIPG1004-01	Acid-PEG2-SS-PEG2-Acid
BIPG1007-01	Acid-PEG6-SS-PEG6-Acid
BIPG1005-01	Acid-PEG3-SS-PEG3-Acid
OR1076924-01	Chenodeoxycholic Acid Impurity 1; Allochenodeoxycholic Acid
BIPG1006-01	Acid-PEG4-S-S-PEG4-Acid

Catalog	Name
sc-279242	Isopropylmalonic acid
I10360-01	Isopropylmalonic acid 97%
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MBS6036559-01	a-Lipoic Acid (Thioctic Acid)
MBS651473-01	Ambuic acid ((+)-Ambuic acid)
18131235	Mercaptosuccinic acid (Thiomalic acid)