Methyl 2-hydroxy-4-formylbenzoate

CAT: 0127-OR400407-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR400407-01Size:100 mg

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CAS Number

42137-51-9

MDL Number

MFCD24674004

Purity

95%

Smiles

COC(=O)c1ccc(C=O)cc1O

Storage Conditions

Store at 2-8°C

Chemical Information

Methyl 4-formyl-2-hydroxybenzoate

CAS Number	42137-51-9
PubChem CID	21626741
IUPAC Name	methyl 4-formyl-2-hydroxybenzoate
Molecular Formula	C9H8O4
Molecular Weight	180.16
XLogP	1.8
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	202

SMILES

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

InChI

InChI=1S/C9H8O4/c1-13-9(12)7-3-2-6(5-10)4-8(7)11/h2-5,11H,1H3

InChIKey

QHYZSTPHHGRZIS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42137-51-9

CID: 21626741

Formula: C9H8O4

MW: 180.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.16
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	180.04225873
Monoisotopic Mass	180.04225873
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202
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
OR3659-01	Methyl 4-formylbenzoate
OR75712-01	Methyl 4-chloro-2-formylbenzoate
OR1045207-01	Methyl 2-chloro-4-formylbenzoate
OR1067403-01	Methyl 4-cyano-2-formylbenzoate
OR1044167-01	Methyl 2-chloro-4-formylbenzoate
OR400781-01	Methyl 4-bromo-2-formylbenzoate
OR30239-01	Methyl 2-formylbenzoate
PC501573-01	Methyl 4-fluoro-2-formylbenzoate
OR400422-01	Methyl 2-bromo-4-formylbenzoate
PC501652-01	Methyl 2-fluoro-4-formylbenzoate

Catalog	Name
HY-78000-01	Methyl 4-formylbenzoate
KAC79542-01	Methyl 4-bromo-2-formylbenzoate
QDA48452-01	Methyl 2-bromo-4-formylbenzoate
BQB33616	Methyl 4-chloro-2-formylbenzoate
454943-01	Methyl 2-fluoro-4-formylbenzoate
sc-263526	Methyl 2-formylbenzoate
HY-78000R-01	Methyl 4-formylbenzoate (Standard)
IJB12435-01	Methyl 4-bromo-3-formylbenzoate
455237-01	Methyl 3-fluoro-4-formylbenzoate
sc-286267	Methyl 4-formylbenzoate dimethyl acetal