3-hydroxy-4-nitrobenzaldehyde

3-hydroxy-4-nitrobenzaldehyde

CAS: 704-13-2

Formula: C7H5NO4

SMILES: OC1=C(C=CC(C=O)=C1)[N+]([O-])=O

IUPAC: 3-hydroxy-4-nitrobenzaldehyde

InChI: InChI=1S/C7H5NO4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-4,10H

Composition: C (50.31%), H (3.02%), N (8.38%), O (38.29%)

Molar Mass: 167.12

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.021857645
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	AUBBVPIQUDFRQI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.94
Topological Polar Surface Area	80.44
Polarizability	14.82
Ring Count	1
Rotatable Bond Count	2

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