2-methyl-3-phenylpropanal

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H12O
Molecular Weight	148.2017
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-methyl-3-phenylpropanal

Structure Search

SMILES

CC(CC1=CC=CC=C1)C=O

InChI

InChIKey=HEPHYCJJLAUKSB-UHFFFAOYSA-N

InChI=1S/C10H12O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H12O
Molecular Weight	148.2017
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:05:52 GMT 2025` Edited by `admin` on `Wed Apr 02 12:05:52 GMT 2025`
Record UNII	TA7UWG59F9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-methyl-3-phenylpropanal

Systematic Name

English

NSC-22266

Preferred Name

English

2-Methyl-3-phenylpropionaldehyde

Systematic Name

English

?-Methylbenzenepropanal

Systematic Name

English

Benzenepropanal, ?-methyl-

Systematic Name

English

Code System Code Type Description

NSC

22266

Created by admin on Wed Apr 02 12:05:52 GMT 2025 , Edited by admin on Wed Apr 02 12:05:52 GMT 2025

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PUBCHEM

95593

Created by admin on Wed Apr 02 12:05:52 GMT 2025 , Edited by admin on Wed Apr 02 12:05:52 GMT 2025

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FDA UNII

TA7UWG59F9

Created by admin on Wed Apr 02 12:05:52 GMT 2025 , Edited by admin on Wed Apr 02 12:05:52 GMT 2025

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EPA CompTox

DTXSID301020884

Created by admin on Wed Apr 02 12:05:52 GMT 2025 , Edited by admin on Wed Apr 02 12:05:52 GMT 2025

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CAS

5445-77-2

Created by admin on Wed Apr 02 12:05:52 GMT 2025 , Edited by admin on Wed Apr 02 12:05:52 GMT 2025

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