Ethyl 4-formylbenzoate

CAT: 1731-GT HW 2101-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-GT HW 2101-01Size:1 mg

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CAS Number

6287-86-1

MDL Number

MFCD00460463

Purity

0.95

Smiles

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

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

Ethyl 4-formylbenzoate

CAS Number	6287-86-1
PubChem CID	80498
IUPAC Name	ethyl 4-formylbenzoate
Molecular Formula	C10H10O3
Molecular Weight	178.18
XLogP	2.3
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	181

SMILES

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

InChI

InChI=1S/C10H10O3/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-7H,2H2,1H3

InChIKey

BHYVHYPBRYOMGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6287-86-1

CID: 80498

Formula: C10H10O3

MW: 178.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.18
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	178.062994177
Monoisotopic Mass	178.062994177
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	181
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
FH HG 00D1-01	Ethyl 4-acetamidobenzoate
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

Catalog	Name
449265-01	Ethyl 4-Formylbenzoate
OR1089604-01	Ethyl 3-ethyl-4-formylbenzoate
OR1089356-01	Ethyl 4-ethyl-2-formylbenzoate
YEC02909-01	Ethyl 2-chloro-4-formylbenzoate
PC1007005-01	Ethyl 3-fluoro-4-formylbenzoate
ILB24802-01	Ethyl 3-chloro-4-formylbenzoate
PC1013228-01	Ethyl 4-fluoro-3-formylbenzoate
OR1089550-01	Methyl 3-ethyl-4-formylbenzoate
sc-269081	Ethyl 3-formylbenzoate
OR950665-01	Ethyl 2-formylbenzoate