3-(2-ETHYLPHENYL)-2,2-DIMETHYLPROPANAL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H18O
Molecular Weight	190.2814
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(2-ETHYLPHENYL)-2,2-DIMETHYLPROPANAL

Structure Search

SMILES

CCC1=C(CC(C)(C)C=O)C=CC=C1

InChI

InChIKey=ITJHALDCYCTNNJ-UHFFFAOYSA-N

InChI=1S/C13H18O/c1-4-11-7-5-6-8-12(11)9-13(2,3)10-14/h5-8,10H,4,9H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H18O
Molecular Weight	190.2814
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:58:51 GMT 2023` Edited by `admin` on `Sat Dec 16 11:58:51 GMT 2023`
Record UNII	10A7TH6XID
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(2-ETHYLPHENYL)-2,2-DIMETHYLPROPANAL

Systematic Name

English

2-ETHYL-.ALPHA.,.ALPHA.-DIMETHYLBENZENEPROPANAL

Systematic Name

English

BENZENEPROPANAL, 2-ETHYL-.ALPHA.,.ALPHA.-DIMETHYL-

Systematic Name

English

Code System Code Type Description

CAS

67634-14-4

Created by admin on Sat Dec 16 11:58:51 GMT 2023 , Edited by admin on Sat Dec 16 11:58:51 GMT 2023

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PUBCHEM

105512

Created by admin on Sat Dec 16 11:58:51 GMT 2023 , Edited by admin on Sat Dec 16 11:58:51 GMT 2023

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FDA UNII

10A7TH6XID

Created by admin on Sat Dec 16 11:58:51 GMT 2023 , Edited by admin on Sat Dec 16 11:58:51 GMT 2023

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EPA CompTox

DTXSID8052358

Created by admin on Sat Dec 16 11:58:51 GMT 2023 , Edited by admin on Sat Dec 16 11:58:51 GMT 2023

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ECHA (EC/EINECS)

266-818-7

Created by admin on Sat Dec 16 11:58:51 GMT 2023 , Edited by admin on Sat Dec 16 11:58:51 GMT 2023

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