Methyl 3-formamido-4-hydroxybenzoate

CAT: 0127-OR900447-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR900447-01Size:1 g

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CAS Number

1379261-17-2

MDL Number

MFCD20676665

Purity

95%

Smiles

COC(=O)c1ccc(O)c(NC=O)c1

Chemical Information

Methyl 3-formamido-4-hydroxybenzoate

CAS Number	1379261-17-2
PubChem CID	75486211
IUPAC Name	methyl 3-formamido-4-hydroxybenzoate
Molecular Formula	C9H9NO4
Molecular Weight	195.17
XLogP	0.6
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	219

SMILES

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

InChI

InChI=1S/C9H9NO4/c1-14-9(13)6-2-3-8(12)7(4-6)10-5-11/h2-5,12H,1H3,(H,10,11)

InChIKey

BXSAUNCKNBPVNS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1379261-17-2

CID: 75486211

Formula: C9H9NO4

MW: 195.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.17
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	195.05315777
Monoisotopic Mass	195.05315777
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219
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
OR917547-01	Methyl 3-cyano-4-hydroxybenzoate
OR14130-01	Methyl 3-amino-4-hydroxybenzoate
PC100252-01	Methyl 4- (difluoromethoxy) -3-hydroxybenzoate
OR6967	Methyl 3-formyl-4-hydroxybenzoate
OR2924-01	Methyl 3-chloro-4-hydroxybenzoate
OR922886-01	Methyl 4-hydroxybenzoate
OR9408-01	Methyl 4-bromo-3-hydroxybenzoate
OR907859-01	Methyl 4-chloro-3-hydroxybenzoate
OR1070587-01	Methyl 4- (benzyloxy) -3-hydroxybenzoate
PC448027-01	Methyl 3-Fluoro-4-hydroxybenzoate

Catalog	Name
455246-01	Methyl 3-formamido-4-hydroxybenzoate
164917	Methyl 4-Methyl-3-hydroxybenzoate
RG-M052004-01	Methyl 4-Hydroxybenzoate
UXB72088-01	Methyl 4- (dimethylamino) -3-hydroxybenzoate
FM70660-01	Methyl 4-amino-3-hydroxybenzoate
TRC-M296110-100MG	Methyl 3-bromo-4-hydroxybenzoate
RG-M010700-01	Methyl 3-Acetyl-4-Hydroxybenzoate
sc-263554	Methyl 3-amino-4-hydroxybenzoate
sc-263634A	Methyl 4-fluoro-3-hydroxybenzoate
sc-301052	Methyl 3-fluoro-4-hydroxybenzoate