P-ANISALDEHYDE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H8O2
Molecular Weight	136.1479
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of P-ANISALDEHYDE

SMILES

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

InChI

InChIKey=ZRSNZINYAWTAHE-UHFFFAOYSA-N

InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula	C8H8O2
Molecular Weight	136.1479
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Novel hypotensive agents from Verbesina caracasana. 8. Synthesis and pharmacology of (3,4-dimethoxycinnamoyl)-N(1)-agmatine and synthetic analogues.	2001 Aug 30	11520203
New 4-methoxybenzoyl derivatives from the ascidian Polycarpa aurata.	2001 Dec	11754611
Biosynthesis of p-anisaldehyde by the white-rot basidiomycete Pleurotus ostreatus.	2002	16233188
Hydrogen-bond-promoted hetero-Diels-Alder reactions of unactivated ketones.	2002 Aug 21	12175197
An experimental and computational evaluation of the energetics of the isomeric methoxyphenylcarbenes generated in carbon atom reactions.	2002 Jan 16	11782188

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Substance Class	Chemical
Record UNII	9PA5V6656V
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

ANISALDEHYDE

Preferred Name

English

P-ANISALDEHYDE

Common Name

English

P-ANISALDEHYDE [MI]

Common Name

English

P-FORMYLANISOLE

Common Name

English

CRATEGINE

Common Name

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

P-METHOXYBENZALDEHYDE

Subpart F--Flavoring Agents and Related Substances

CFR

21 CFR 172.515

Showing 1 to 2 of 2 entries

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Code System

Code

Type

Description

FDA UNII

9PA5V6656V

PRIMARY

PUBCHEM

31244

PRIMARY

EPA CompTox

DTXSID2026997

PRIMARY

DAILYMED

9PA5V6656V

PRIMARY

EVMPD

SUB37593

PRIMARY

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Showing 1 to 1 of 1 entries