Methyl 2- (4-acetamidophenyl) acetate

CAT: 0127-OR1064264-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1064264-01Size:250 mg

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CAS Number

118380-03-3

MDL Number

MFCD23145246

Purity

95%

Smiles

O=C(OC)CC1=CC=C(NC(C)=O)C=C1

Chemical Information

Methyl 2-(4-acetamidophenyl)acetate

CAS Number	118380-03-3
PubChem CID	571855
IUPAC Name	methyl 2-(4-acetamidophenyl)acetate
Molecular Formula	C11H13NO3
Molecular Weight	207.23
XLogP	0.9
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	232

SMILES

CC(=O)NC1=CC=C(C=C1)CC(=O)OC

InChI

InChI=1S/C11H13NO3/c1-8(13)12-10-5-3-9(4-6-10)7-11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13)

InChIKey

ZWJLFLBVYIJQAZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 118380-03-3

CID: 571855

Formula: C11H13NO3

MW: 207.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.23
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	207.08954328
Monoisotopic Mass	207.08954328
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	232
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
OR322649	3-Acetamidophenyl acetate
OR1064139-01	4-Acetamidophenyl 2-chloroacetate
OR1102915-01	4- (4-Acetamidophenyl) -2-aminothiazole
OR311047	Methyl-2-acetamido-3- (4-acetamidophenyl) prop-2-enoate
OR1047593-01	Methyl 2- (4-benzoylphenoxy) acetate
PC1001608-01	Methyl 2- (4-fluorophenoxy) acetate
OR1064843-01	Methyl 2- (4-isothiocyanatophenyl) acetate
OR1078236	4-Methyl-2-pentyl Acetate
OR74634-01	Methyl 2- (4-chlorophenoxy) acetate
OR90150-01	Methyl 2- (4-iodophenyl) acetate

Catalog	Name
HY-W005340-01	Methyl (4-cyanophenyl) acetate
sc-228476	Methyl (4-chlorobenzoyl) acetate
sc-263471	Methyl (4-boronobenzoylamino) acetate
FM67976-01	Methyl (4-butoxyphenyl) acetate
281813-01	Methyl- (4-bromophenoxy) acetate
454588-01	Methyl (4-cyanophenoxy) acetate
454586-01	Methyl (4-Aminophenoxy) acetate
JH657812	(4-methylphenyl) methyl acetate
sc-337910	Methyl (4-isothiocyanatophenyl) acetate
sc-337985A	Methyl 4-fluorophenyl acetate