3-ethoxy-4-hydroxy-5-nitrobenzaldehyde

3-ethoxy-4-hydroxy-5-nitrobenzaldehyde

CAS: 178686-24-3

Formula: C9H9NO5

SMILES: CCOC1=C(O)C(=CC(C=O)=C1)[N+]([O-])=O

IUPAC: 3-ethoxy-4-hydroxy-5-nitrobenzaldehyde

InChI: InChI=1S/C9H9NO5/c1-2-15-8-4-6(5-11)3-7(9(8)12)10(13)14/h3-5,12H,2H2,1H3

Composition: C (51.19%), H (4.30%), N (6.63%), O (37.88%)

Molar Mass: 211.173

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	211.048072394
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	MDWLNBVKBMKTKN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.16
Topological Polar Surface Area	89.67
Polarizability	19.19
Ring Count	1
Rotatable Bond Count	4

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