CAS 536-25-4|Methyl 3-amino-4-hydroxybenzenecarboxylate|methyl 3-amino-4-hydroxybenzoate|orthoform|2-Amino-4-(methoxycarbonyl)phenol|Methyl 3-amino-4-hydroxybenzoate|2-Hydroxy-5-(methoxycarbonyl)ani...

General Information

Structure

Molecular Formula

C₈H₉NO₃

Molecular Mass

167.16196

Exact Mass

167.05824315

Charge

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

Canonic Smiles

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

Isomeric Smiles

C(=O)(c1cc(c(cc1)O)N)OC

Calculated Properties

JChem

Acid pKa

9.30391

H Acceptors

H Donor

LogD (pH = 5.5)

0.8429549

LogD (pH = 7.4)

0.8388511

Log P

0.8442315

Molar Refractivity

44.7646

Polarizability

16.529335

Polar Surface Area

72.55

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Methyl 3-amino-4-hydroxybenzenecarboxylate2-Amino-4-(methoxycarbonyl)phenolMethyl 3-amino-4-hydroxybenzoate2-Hydroxy-5-(methoxycarbonyl)anilineAminobenzOrthocaineMethyl m-Amino-p-hydroxybenzoateOrthocaine3-Amino-4-hydroxybenzoic Acid Methyl EsterMethyl 4-Hydroxy-3-aminobenzoateOrthoform1-Hydroxy-2-amino-4-carbomethoxybenzeneMethyl 3-Amino-4-hydroxybenzoateOrthoderm

IUPAC name

methyl 3-amino-4-hydroxybenzoate

IUPAC Traditional name

orthoform

Names and Identifiers

Registration numbers

MDL Number

MFCD00017095

CAS Number

536-25-4

PubChem SID

162048301