5-NITROFURFURYL ACETATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H7NO5
Molecular Weight	185.1342
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-NITROFURFURYL ACETATE

Structure Search

SMILES

CC(=O)OCC1=CC=C(O1)[N+]([O-])=O

InChI

InChIKey=PCMLAOQXILPCIL-UHFFFAOYSA-N

InChI=1S/C7H7NO5/c1-5(9)12-4-6-2-3-7(13-6)8(10)11/h2-3H,4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C7H7NO5
Molecular Weight	185.1342
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 `Mon Mar 31 19:18:07 GMT 2025` Edited by `admin` on `Mon Mar 31 19:18:07 GMT 2025`
Record UNII	5I2X1D2NE3
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-FURANMETHANOL, 5-NITRO-, 2-ACETATE

Preferred Name

English

5-NITROFURFURYL ACETATE

Systematic Name

English

2-FURANMETHANOL, 5-NITRO-, ACETATE (ESTER)

Systematic Name

English

FURFURYL ALCOHOL, 5-NITRO-, ACETATE

Systematic Name

English

FURFURYL ALCOHOL, 5-NITRO-, ACETATE (ESTER)

Systematic Name

English

5-NITRO-2-FURFURYL ACETATE

Systematic Name

English

NSC-6462

Code

English

Code System Code Type Description

ECHA (EC/EINECS)

226-469-3

Created by admin on Mon Mar 31 19:18:07 GMT 2025 , Edited by admin on Mon Mar 31 19:18:07 GMT 2025

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NSC

6462

Created by admin on Mon Mar 31 19:18:07 GMT 2025 , Edited by admin on Mon Mar 31 19:18:07 GMT 2025

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CAS

5407-68-1

Created by admin on Mon Mar 31 19:18:07 GMT 2025 , Edited by admin on Mon Mar 31 19:18:07 GMT 2025

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EPA CompTox

DTXSID90202399

Created by admin on Mon Mar 31 19:18:07 GMT 2025 , Edited by admin on Mon Mar 31 19:18:07 GMT 2025

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FDA UNII

5I2X1D2NE3

Created by admin on Mon Mar 31 19:18:07 GMT 2025 , Edited by admin on Mon Mar 31 19:18:07 GMT 2025

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PUBCHEM

79412

Created by admin on Mon Mar 31 19:18:07 GMT 2025 , Edited by admin on Mon Mar 31 19:18:07 GMT 2025

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