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(2E)-3-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid

(2E)-3-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid

CAS: 50396-49-1

Formula: C9H7NO5

SMILES: OC(=O)C=CC1=CC(=CC=C1O)[N+]([O-])=O

IUPAC: (2E)-3-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid

InChI: InChI=1S/C9H7NO5/c11-8-3-2-7(10(14)15)5-6(8)1-4-9(12)13/h1-5,11H,(H,12,13)/b4-1+

Composition: C (51.68%), H (3.37%), N (6.70%), O (38.25%)

Molar Mass: 209.157

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 209.032422329
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey PJUYGYRWUMRDEI-DAFODLJHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.36
Topological Polar Surface Area 100.67
Polarizability 18.73
Ring Count 1
Rotatable Bond Count 3

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95% <5 Days 50396-49-1 $480.00$480.00
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