3-hydroxy-2,2,4-trimethylpentanoic acid

CAT: 1731-AL BO 0530-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-AL BO 0530-01Size:1 mg

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CAS Number

35763-45-2

MDL Number

MFCD06208080

Purity

0.95

Smiles

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

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

2,2,4-Trimethyl-3-hydroxyvaleric acid

CAS Number	35763-45-2
PubChem CID	520763
IUPAC Name	3-hydroxy-2,2,4-trimethylpentanoic acid
Molecular Formula	C8H16O3
Molecular Weight	160.21
XLogP	1.4
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

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

InChI

InChI=1S/C8H16O3/c1-5(2)6(9)8(3,4)7(10)11/h5-6,9H,1-4H3,(H,10,11)

InChIKey

OJLBQZJKORZRDZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35763-45-2

CID: 520763

Formula: C8H16O3

MW: 160.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.21
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	160.109944368
Monoisotopic Mass	160.109944368
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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
AL BE 0907-01	2-chloro-3-hydroxy-4-methoxybenzoic acid
AL BE 0569-01	4-hydroxy-2-methoxybenzoic acid
AL BE 1511-01	2-hydroxy-4-phenylmethoxybenzoic acid
BW GA 0152-01	2-hydroxy-5- (1-hydroxy-3,4-dioxonaphthalen-2-yl) benzoic acid
DK HW 0027-01	2-[ (4-hydroxy-3-nitrophenyl) methyl]propanedioic acid
AL BE 0917-01	2,6-dichloro-3-hydroxy-4-methoxybenzoic acid
AL BM 0673-01	(E) -3- (3-hydroxy-4-nitrophenyl) -2-methylprop-2-enoic acid
BW GA 0154-01	4- (1-hydroxy-3,4-dioxonaphthalen-2-yl) benzoic acid
BW GA 0150-01	3-tert-butyl-2-hydroxy-5- (1-hydroxy-3,4-dioxonaphthalen-2-yl) benzoic acid
AN EU 3302-01	2,3,6-trichloro-5-hydroxy-4-methoxybenzoic acid

Catalog	Name
OR1067719-01	3-Hydroxy-2,2,4-trimethylpentanoic acid
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AAA86672-01	2,2,4-Trimethylpentanoic acid
ADA17771-01	3,4,4-Trimethylpentanoic acid
ZXC52103-01	3-{[ (tert-Butoxy) carbonyl]amino}-2,2,4-trimethylpentanoic acid
OR1038481	2-Hydroxy-2- (3-hydroxy-4-methoxyphenyl) acetic acid
PDA94284-01	2-Hydroxy-2- (4-hydroxy-3-nitrophenyl) acetic acid
OR1010463-01	2-Hydroxy-2- (4-Hydroxy-3-Methoxyphenyl) Acetic Acid
HY-W043285-01	2-Hydroxy-3,4-dimethoxybenzoic acid
sc-342768A	2-hydroxy-3,4-dimethylbenzoic acid