Ethyl 4-acetamidobenzoate

CAT: 1731-FH HG 00D1-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-FH HG 00D1-01Size:1 mg

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CAS Number

5338-44-3

MDL Number

MFCD00157645

Purity

0.95

Smiles

CCOC (=O) c1ccc (NC (C) =O) cc1

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

Ethyl-4-acetamidobenzoate

See also: Ethyl 4-(acetamido)benzoate (annotation moved to).

CAS Number	5338-44-3
PubChem CID	220420
IUPAC Name	ethyl 4-acetamidobenzoate
Molecular Formula	C11H13NO3
Molecular Weight	207.23
XLogP	2.2
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

CCOC(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C11H13NO3/c1-3-15-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)

InChIKey

NHLOBHNRBWKNIO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5338-44-3

CID: 220420

Formula: C11H13NO3

MW: 207.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.23
XLogP3	2.2
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
AL MK 0019-01	Ethyl 4-aminobutanoate
GT HW 2101-01	Ethyl 4-formylbenzoate
FH HG 0017-01	Ethyl 4- (4-ethoxycarbonylanilino) benzoate
GT HW 2258-01	Ethyl 4- (dipropylamino) butanoate
AL BW 1094-01	Ethyl 4- (aminomethyl) benzoate
AQ NN 0308-01	2-ethyl-4-phenylquinazoline
AL BI 0536-01	Ethyl 3,4-dichlorobenzoate
AL BI 0269-01	Ethyl 4-tert-butylbenzoate
AL BZ 0294-01	Ethyl 2,4-diamino-4-oxobutanoate
FH HG 00G2-01	Ethyl 4- (N- (4-ethoxycarbonylphenyl) -4-methylanilino) benzoate

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