3-(3-TERT-BUTYLPHENYL)-2-METHYLPROPANAL

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H20O
Molecular Weight	204.308
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(3-TERT-BUTYLPHENYL)-2-METHYLPROPANAL

Structure Search

SMILES

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

InChI

InChIKey=GLZRHVTZLDNUQP-UHFFFAOYSA-N

InChI=1S/C14H20O/c1-11(10-15)8-12-6-5-7-13(9-12)14(2,3)4/h5-7,9-11H,8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C14H20O
Molecular Weight	204.308
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 `Sat Dec 16 11:43:32 GMT 2023` Edited by `admin` on `Sat Dec 16 11:43:32 GMT 2023`
Record UNII	UGB2D7505H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(3-TERT-BUTYLPHENYL)-2-METHYLPROPANAL

Systematic Name

English

3-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYLBENZENEPROPANAL

Systematic Name

English

BENZENEPROPANAL, 3-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYL-

Systematic Name

English

Code System Code Type Description

CAS

62518-65-4

Created by admin on Sat Dec 16 11:43:32 GMT 2023 , Edited by admin on Sat Dec 16 11:43:32 GMT 2023

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ECHA (EC/EINECS)

263-580-6

Created by admin on Sat Dec 16 11:43:32 GMT 2023 , Edited by admin on Sat Dec 16 11:43:32 GMT 2023

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FDA UNII

UGB2D7505H

Created by admin on Sat Dec 16 11:43:32 GMT 2023 , Edited by admin on Sat Dec 16 11:43:32 GMT 2023

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PUBCHEM

112494

Created by admin on Sat Dec 16 11:43:32 GMT 2023 , Edited by admin on Sat Dec 16 11:43:32 GMT 2023

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EPA CompTox

DTXSID8052304

Created by admin on Sat Dec 16 11:43:32 GMT 2023 , Edited by admin on Sat Dec 16 11:43:32 GMT 2023

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