3-PINANONE, (E)-

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H16O
Molecular Weight	152.2334
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-PINANONE, (E)-

Structure Search

SMILES

C[C@@H]1[C@@H]2C[C@H](CC1=O)C2(C)C

InChI

InChIKey=MQPHVIPKLRXGDJ-PRJMDXOYSA-N

InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7-,8+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C10H16O
Molecular Weight	152.2334
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:22:46 GMT 2023` Edited by `admin` on `Sat Dec 16 00:22:46 GMT 2023`
Record UNII	8W3PLY2V8K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-PINANONE, (E)-

Common Name

English

TRANS-PINOCAMPHONE

Common Name

English

TRANS-(±)-3-PINANONE

Common Name

English

BICYCLO(3.1.1)HEPTAN-3-ONE, 2,6,6-TRIMETHYL-, (1R,2S,5S)-REL-

Common Name

English

(±)-TRANS-PINOCAMPHONE

Common Name

English

TRANS-3-PINANONE

Common Name

English

PINOCAMPHONE

Common Name

English

2.BETA.H-PINAN-3-ONE

Common Name

English

BICYCLO(3.1.10HEPTAN-3-ONE, 2,6,6-TRIMETHYL-, (1.ALPHA.,2.ALPHA.,5.ALPHA.)-

Common Name

English

Code System Code Type Description

MESH

C021317

Created by admin on Sat Dec 16 00:22:46 GMT 2023 , Edited by admin on Sat Dec 16 00:22:46 GMT 2023

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PUBCHEM

6427105

Created by admin on Sat Dec 16 00:22:46 GMT 2023 , Edited by admin on Sat Dec 16 00:22:46 GMT 2023

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ECHA (EC/EINECS)

208-926-9

Created by admin on Sat Dec 16 00:22:46 GMT 2023 , Edited by admin on Sat Dec 16 00:22:46 GMT 2023

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CAS

547-60-4

Created by admin on Sat Dec 16 00:22:46 GMT 2023 , Edited by admin on Sat Dec 16 00:22:46 GMT 2023

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EPA CompTox

DTXSID70881207

Created by admin on Sat Dec 16 00:22:46 GMT 2023 , Edited by admin on Sat Dec 16 00:22:46 GMT 2023

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FDA UNII

8W3PLY2V8K

Created by admin on Sat Dec 16 00:22:46 GMT 2023 , Edited by admin on Sat Dec 16 00:22:46 GMT 2023

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