Methyl 3-amino-4-hydroxybenzoate

CAT: 0024-sc-263554ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-263554ASize:5 g

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CAS Number

536-25-4

Chemical Information

Methyl 3-amino-4-hydroxybenzoate

Orthoform is a benzoate ester.

CAS Number	536-25-4
PubChem CID	10815
IUPAC Name	methyl 3-amino-4-hydroxybenzoate
Molecular Formula	C8H9NO3
Molecular Weight	167.16
XLogP	1
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

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

InChI

InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3

InChIKey

VNQABZCSYCTZMS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 536-25-4

CID: 10815

Formula: C8H9NO3

MW: 167.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	167.16
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	167.058243149
Monoisotopic Mass	167.058243149
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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
sc-269507	Methyl 4-amino-3-hydroxybenzoate
sc-263556	Methyl 3-amino-5-hydroxybenzoate
sc-279366	Methyl 3-Amino-2-hydroxybenzoate
sc-482837	Methyl 4-methyl-3-hydroxybenzoate
sc-498087	Ethyl 4-Amino-3-hydroxybenzoate
sc-263634A	Methyl 4-fluoro-3-hydroxybenzoate
sc-301052	Methyl 3-fluoro-4-hydroxybenzoate
sc-228526	Methyl 3-formyl-4-hydroxybenzoate
sc-301052A	Methyl 3-fluoro-4-hydroxybenzoate
sc-263624A	Methyl 4-bromo-3-hydroxybenzoate

Catalog	Name
FM70660-01	Methyl 4-amino-3-hydroxybenzoate
OR14130-01	Methyl 3-amino-4-hydroxybenzoate
OR1075223	Methyl 3-amino-4-hydroxybenzoate hydrochloride
M11010-01	Methyl 3-amino-4-hydroxybenzoate 95%
OR110124	Methyl 4-[ (chloroacetyl) amino]-3-hydroxybenzoate
M11012-01	Methyl-4-amino-3-hydroxybenzoate 98%
FM33559	Methyl 4-Amino-2-hydroxybenzoate
BRA56870	Methyl 2-amino-4-hydroxybenzoate
TRC-M892855-100MG	Methyl 3-(((4-(Ethoxycarbonyl)phenyl)amino) Methyl)-4-hydroxybenzoate
AR-B06768-01	Methyl 3- (((4- (ethoxycarbonyl) phenyl) amino) methyl) -4-Hydroxybenzoate