HEPTANAL 1,3-GLYCERYL ACETAL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H20O3
Molecular Weight	188.264
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of HEPTANAL 1,3-GLYCERYL ACETAL

Structure Search

SMILES

CCCCCC[C@H]1OC[C@H](O)CO1

InChI

InChIKey=ZIWLHBBLQRQFSA-MGCOHNPYSA-N

InChI=1S/C10H20O3/c1-2-3-4-5-6-10-12-7-9(11)8-13-10/h9-11H,2-8H2,1H3/t9-,10-

HIDE SMILES / InChI

Molecular Formula	C10H20O3
Molecular Weight	188.264
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 06:48:57 GMT 2023` Edited by `admin` on `Sat Dec 16 06:48:57 GMT 2023`
Record UNII	4VH761HOSR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEPTANAL 1,3-GLYCERYL ACETAL

Common Name

English

HEPTANAL, CYCLIC 2-HYDROXYTRIMETHYLENE ACETAL

Common Name

English

1,3-DIOXAN-5-OL, 2-HEXYL-

Systematic Name

English

FEMA NO. 2542, 1,3-ACETAL

Code

English

M-DIOXAN-5-OL, 2-HEXYL-

Systematic Name

English

Code System Code Type Description

CAS

1708-36-7

Created by admin on Sat Dec 16 06:48:57 GMT 2023 , Edited by admin on Sat Dec 16 06:48:57 GMT 2023

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ECHA (EC/EINECS)

216-961-6

Created by admin on Sat Dec 16 06:48:57 GMT 2023 , Edited by admin on Sat Dec 16 06:48:57 GMT 2023

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EPA CompTox

DTXSID8061898

Created by admin on Sat Dec 16 06:48:57 GMT 2023 , Edited by admin on Sat Dec 16 06:48:57 GMT 2023

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PUBCHEM

74361

Created by admin on Sat Dec 16 06:48:57 GMT 2023 , Edited by admin on Sat Dec 16 06:48:57 GMT 2023

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FDA UNII

4VH761HOSR

Created by admin on Sat Dec 16 06:48:57 GMT 2023 , Edited by admin on Sat Dec 16 06:48:57 GMT 2023

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