3- (4-Methylbenzoyl) propionic acid

CAT: 0926-IM57803-01Size: 0.1 KgDry Ice: NoHazardous: No

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CAT#:0926-IM57803-01Size:0.1 Kg

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CAS Number

4619-20-9

Synonyms

Zolu-1;4- (4-Methylphenyl) -4-oxobutyric acid;3- (p-Toluoyl) propionic acid

MDL Number

MFCD00020541

Smiles

CC1=CC=C (C=C1) C (=O) CCC (=O) O

Molecular Formula

C11H12O3

Molecular Weight

192.21 g/mol

Controlled

Chemical Information

4-(4-Methylphenyl)-4-oxobutanoic acid

CAS Number	4619-20-9
PubChem CID	244162
IUPAC Name	4-(4-methylphenyl)-4-oxobutanoic acid
Molecular Formula	C11H12O3
Molecular Weight	192.21
XLogP	1.9
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	215

SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)O

InChI

InChI=1S/C11H12O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)

InChIKey

OEEUWZITKKSXAZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4619-20-9

CID: 244162

Formula: C11H12O3

MW: 192.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.21
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	192.078644241
Monoisotopic Mass	192.078644241
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	215
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
FH24472	3- (4-Hydroxyphenyl) propionic acid
FB54163	3- (4-Bromophenyl) propionic acid
LEA14092-01	3- (4-Carbamoylphenoxy) propionic acid
ICA42021	3- (4-Isopropylphenyl) propionic acid
FM54164	3- (4-Methylphenyl) propionic acid
FF10688-01	3- (4-Fluorobenzoyl) propionic acid
FE70690-01	3- (4-Ethoxyphenyl) propionic acid
KAA57216-01	3- (4-Nitrophenoxy) propionic acid
FM36914-01	3- (4-Methoxyphenyl) propionic acid
ABA17337-01	3- (4-Methylphenoxy) propionic acid

Catalog	Name
292222-01	3- (4-Methylbenzoyl) propionic acid
HY-W088026R	3- (4-Methylbenzoyl) propionic acid (Standard)
HY-W067425-01	2- (4-Hydroxyphenyl) propionic acid
283182-01	3- (4-Methoxybenzoyl) propionic acid
278796-01	2- (4-Hydroxyphenoxy) -propionic acid
269089-01	3- (4-Chlorophenyl) -propionic acid
288206-01	3- (4-Phenoxyphenyl) propionic acid
014306	3- (4-Hydroxyphenyl) propionic Acid
sc-266372	3- (4-Methylsulfonylbenzoyl) propionic acid
sc-280327A	3- (4-Ethylphenyl) propionic acid