Compound C13H9NO4

8-methoxy-3-nitro-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene

CAS: 105052-39-9

Molecular Formula	`C13H9NO4`
Molecular Weight	243.21 g/mol
LogP	3.3
Topological Polar Surface Area	64.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	243.05316
Heavy Atoms	18
Complexity	376.0

Chemical Identifiers

CAS Number	105052-39-9
SMILES	`COC1=C2C=CC=C3C2=C(C=C1)C=C(O3)[N+](=O)[O-]`
InChIKey	`DNZYLXTVVJFKQE-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H9NO4 (CAS: 105052-39-9) is a chemical compound with molecular formula C13H9NO4 and molecular weight 243.21 g/mol. Its IUPAC systematic name is 8-methoxy-3-nitro-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene. LogP 3.3 Topological Polar Surface Area 64.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 243.05316 Heavy Atoms 18 Complexity 376.0 InChI Key: DNZYLXTVVJFKQE-UHFFFAOYSA-N. SMILES: COC1=C2C=CC=C3C2=C(C=C1)C=C(O3)[N+](=O)[O-].

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