4-Formylbenzoic Acid Methyl Ester

CAT: 0572-TRC-F697410-5GSize: 5 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-F697410-5GSize:5 g

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CAS Number

1571-08-0

Synonyms

Terephthalaldehydic Acid Methyl Ester; 4-(Methoxycarbonyl)benzaldehyde; 4-Carbomethoxybenzaldehyde; 4-Carboxybenzaldehyde Methyl Ester; 4-Formylbenzoic Acid Methyl Ester; Methyl 4-formylbenzoate; Methyl Benzaldehyde-4-carboxylate; Methyl p-Formylbenzoate; Methyl Terephthalaldehydate; NSC 28459; Para(methoxycarbonyl)benzaldehyde; p-(Methoxycarbonyl)benzaldehyde; p-Carbomethoxybenzaldehyde; p-Formylbenzoic Acid Methyl Ester;

Hazard Statement

No Data Available

Smiles

COC(=O)c1ccc(C=O)cc1

Molecular Formula

C9H8O3

Molecular Weight

164.16

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

Methyl 4-Formylbenzoate

Methyl-p-formylbenzoate appears as needles (in water) or white powder. (NTP, 1992)

CAS Number	1571-08-0
PubChem CID	15294
IUPAC Name	methyl 4-formylbenzoate
Molecular Formula	C9H8O3
Molecular Weight	164.16
XLogP	1.7
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	169

SMILES

COC(=O)C1=CC=C(C=C1)C=O

InChI

InChI=1S/C9H8O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-6H,1H3

InChIKey

FEIOASZZURHTHB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1571-08-0

CID: 15294

Formula: C9H8O3

MW: 164.16

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	164.16
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	164.047344113
Monoisotopic Mass	164.047344113
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	169
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

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4-Formylbenzoic Acid Methyl Ester

Chemical Information

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