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methyl 3-hydroxy-5-nitrobenzoate

methyl 3-hydroxy-5-nitrobenzoate

CAS: 55076-32-9

Formula: C8H7NO5

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

IUPAC: methyl 3-hydroxy-5-nitrobenzoate

InChI: InChI=1S/C8H7NO5/c1-14-8(11)5-2-6(9(12)13)4-7(10)3-5/h2-4,10H,1H3

Composition: C (48.74%), H (3.58%), N (7.10%), O (40.58%)

Molar Mass: 197.146

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.032422329
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey HTYJYEKZUXJKKW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.38
Topological Polar Surface Area 89.67
Polarizability 17.38
Ring Count 1
Rotatable Bond Count 3

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