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Nordihydroguaiaretic acid

Catalog Number
ACM500389
CAS
500-38-9
Structure
IUPAC Name
4-[4-(3,4-Dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
Synonyms
1,4-Bis(3,4-dihydroxyphenyl)-2,3-dimethyl-butan
Molecular Weight
302.36
Molecular Formula
C18H22O4
Canonical SMILES
CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O
InChI
InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
InChI Key
HCZKYJDFEPMADG-UHFFFAOYSA-N
Boiling Point
363.4 °C
Melting Point
184-186 °C(lit.)
Flash Point
247.8°C
Purity
95%
Density
1.0772 g/cm³
Solubility
water, 4.969 mg/L @ 25 °C (est)
Appearance
White to off-white powder
Storage
Inert atmosphere, room temperature
Active Content
95%
Physical State
Solid
Typical Applications
Use as antioxidant.
Use as enzymes inhibitor.
Spec Sheet
Custom Q&A

What is the PubChem CID of Nordihydroguaiaretic acid?

PubChem CID 4534

What is the molecular formula of Nordihydroguaiaretic acid?

The molecular formula is C18H22O4.

What is the molecular weight of Nordihydroguaiaretic acid?

The molecular weight is 302.4 g/mol.

What is the IUPAC name of Nordihydroguaiaretic acid?

The IUPAC name is 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol.

What are the synonyms for Nordihydroguaiaretic acid?

The synonyms include NORDIHYDROGUAIARETIC ACID, NDGA, Dihydronorguaiaretic acid, Actinex, and more.

What is the InChI of Nordihydroguaiaretic acid?

The InChI is InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3.

What is the InChIKey of Nordihydroguaiaretic acid?

The InChIKey is HCZKYJDFEPMADG-UHFFFAOYSA-N.

What are the other identifiers for Nordihydroguaiaretic acid?

The other identifiers include CAS numbers (500-38-9, 27686-84-6, 1413-68-9), ChEMBL ID (CHEMBL52), DSSTox Substance ID (DTXSID5022437), KEGG ID (C10719), and more.

What is the XLogP3-AA value of Nordihydroguaiaretic acid?

The XLogP3-AA value is 4.3.

What is the hydrogen bond donor count of Nordihydroguaiaretic acid?

The hydrogen bond donor count is 4.

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