Structure

No-aspirin 1

CAS
175033-36-0
Catalog Number
ACM175033360
Category
Other Products
Molecular Weight
331.28
Molecular Formula
C16H13NO7

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Specification

Synonyms
2-(ACETYLOXY)-3-[(NITROOXY)METHYL]PHENYL ESTER, BENZOIC ACID;NCX 4016;NO-ASPIRIN 1;2-AcetyloxybenzoicAcid3-NitrooxymethylphenylEster;nitroaspirin;2-Acetoxybenzoate-2-(1-nitroxymethyl)phenyl ester;C102148;Nitric oxide-releasing aspirin
IUPAC Name
[3-(nitrooxymethyl)phenyl] 2-acetyloxybenzoate
Canonical SMILES
CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=CC(=C2)CO[N+](=O)[O-]
InChI Key
IOJUJUOXKXMJNF-UHFFFAOYSA-N
Boiling Point
499.3ºC at 760mmHg
Melting Point
61-62ºC
Flash Point
214.3ºC
Density
1.347g/cm³
Appearance
Off-White Solid
Exact Mass
331.06900
H-Bond Acceptor
7
H-Bond Donor
0
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