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Structure

7-Nitro-3,4-benzocoumarin

CAS
6638-64-8
Catalog Number
ACM6638648
Category
Other Products
Molecular Weight
241.2
Molecular Formula
C13H7NO4

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Specification

Synonyms
7-Nitro-3,4-benzocoumarin, CCRIS 7714, 130184_ALDRICH, NSC48270, 3-Nitro-6H-benzo[c]chromen-6-one, 3-Nitro-6H-dibenzo(b,d)pyran-6-one, CID96017, ZINC00119401, 6H-Dibenzo(b,d)pyran-6-one, 3-nitro-, LS-61192, 2-Biphenylcarboxylic acid, 2-hydroxy-4-nitro-, delta-lactone, 6638-64-8
IUPAC Name
3-nitrobenzo[c]isochromen-6-one
Canonical SMILES
C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O
InChI Key
KWGYGQPIDANWAX-UHFFFAOYSA-N
Boiling Point
431.5ºC at 760 mmHg
Melting Point
203-205ºC(lit.)
Flash Point
210.1ºC
Density
1.457g/cm³
Exact Mass
241.03800
Hazard Statements
Xn
H-Bond Acceptor
4
H-Bond Donor
0
Safety Description
26
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