2-Nitro-1,4-benzenedimethanol

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H9NO4
Molecular Weight	183.1614
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Nitro-1,4-benzenedimethanol

Structure Search

SMILES

OCC1=CC(=C(CO)C=C1)[N+]([O-])=O

InChI

InChIKey=KWVHOBYJXDKIPL-UHFFFAOYSA-N

InChI=1S/C8H9NO4/c10-4-6-1-2-7(5-11)8(3-6)9(12)13/h1-3,10-11H,4-5H2

HIDE SMILES / InChI

Molecular Formula	C8H9NO4
Molecular Weight	183.1614
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 12:01:27 GMT 2023` Edited by `admin` on `Sat Dec 16 12:01:27 GMT 2023`
Record UNII	68D3YD7DF4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Nitro-1,4-benzenedimethanol

Systematic Name

English

2-Nitro-p-xylene-alpha,alpha'-diol

Systematic Name

English

p-Xylene-α,α′-diol, 2-nitro-

Common Name

English

1,4-Benzenedimethanol, 2-nitro-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

245-503-8

Created by admin on Sat Dec 16 12:01:27 GMT 2023 , Edited by admin on Sat Dec 16 12:01:27 GMT 2023

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PUBCHEM

90035

Created by admin on Sat Dec 16 12:01:27 GMT 2023 , Edited by admin on Sat Dec 16 12:01:27 GMT 2023

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FDA UNII

68D3YD7DF4

Created by admin on Sat Dec 16 12:01:27 GMT 2023 , Edited by admin on Sat Dec 16 12:01:27 GMT 2023

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CAS

23222-97-1

Created by admin on Sat Dec 16 12:01:27 GMT 2023 , Edited by admin on Sat Dec 16 12:01:27 GMT 2023

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EPA CompTox

DTXSID70177798

Created by admin on Sat Dec 16 12:01:27 GMT 2023 , Edited by admin on Sat Dec 16 12:01:27 GMT 2023

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