5-Methoxyisophthalic Acid

Catalog Number

ACM46331504

Product Name

5-Methoxyisophthalic Acid

Structure

CAS

46331-50-4

Category

Heterocyclic Organic Compound

IUPAC Name

5-methoxybenzene-1,3-dicarboxylic acid

Molecular Weight

196.16

Molecular Formula

C9H8O5

Canonical SMILES

COC1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C9H8O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

InChI Key

POSMIIJADZKUPL-UHFFFAOYSA-N

Boiling Point

440.8 °C at 760 mmHg

Melting Point

270 °C

Appearance

White to Almost white powder to crystal

Storage

Store under inert gas

Complexity

215

Condition To Avoid

Hygroscopic

Covalently-Bonded Unit Count

1

Exact Mass

196.037173g/mol

Formal Charge

0

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

H-Bond Acceptor

5

H-Bond Donor

2

Heavy Atom Count

14

MDL Number

MFCD00272364

Monoisotopic Mass

196.037173g/mol

NSC Number

302547

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

3

Signal Word

Warning

XLogP3

1.7

MSDS

COA

Spec Sheet