Methyl 5-Formyl-2-hydroxybenzoate

CAT: 0127-OR350239-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR350239-01Size:5 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

41489-76-3

MDL Number

MFCD03840784

Purity

98%

Smiles

COC(=O)c1cc(C=O)ccc1O

Chemical Information

Methyl 5-Formylsalicylate

CAS Number	41489-76-3
PubChem CID	14363598
IUPAC Name	methyl 5-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=CC(=C1)C=O)O

InChI

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

InChIKey

XJKWVPNWHOCFBR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41489-76-3

CID: 14363598

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
OR46142	Methyl 3-formyl-2-hydroxybenzoate
OR86691-01	Methyl 2-formyl-3-hydroxybenzoate
OR46774-01	Methyl 2-formyl-4-hydroxybenzoate
OR82870-01	Methyl 3-bromo-5-formyl-4-hydroxybenzoate
OR6967	Methyl 3-formyl-4-hydroxybenzoate
OR75013-01	Methyl 4-formyl-3-hydroxybenzoate
OR1102668-01	Methyl 6-chloro-2-formyl-3-hydroxybenzoate
PC10377-01	Methyl 5-fluoro-2-hydroxybenzoate
OR27154	Methyl 5-chloro-2-hydroxybenzoate
OR31020	Methyl 5-amino-2-hydroxybenzoate

Catalog	Name
LEC96360-01	Methyl 2-formyl-5-hydroxybenzoate
RBA48976	Methyl 5-Formyl-2-hydroxybenzoate
GFA52443-01	Methyl 2-formyl-3-hydroxybenzoate
BTC80637-01	Methyl 2-formyl-4-hydroxybenzoate
GDB82079-01	Methyl 3-bromo-5-formyl-4-hydroxybenzoate
ZAA58998	Methyl 4-formyl-3-hydroxybenzoate
sc-228526	Methyl 3-formyl-4-hydroxybenzoate
SID43254-01	Methyl 4-bromo-2-formyl-3-hydroxybenzoate
CHC37340-01	Methyl 6-fluoro-2-formyl-3-hydroxybenzoate
KCA63881-01	Methyl 5- (chlorosulfonyl) -2-hydroxybenzoate