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(2R)-2-hydroxy-3-(4-nitrophenyl)propanoic acid

(2R)-2-hydroxy-3-(4-nitrophenyl)propanoic acid

CAS: 68671-47-6

Formula: C9H9NO5

SMILES: O[C@H](CC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O

IUPAC: (2R)-2-hydroxy-3-(4-nitrophenyl)propanoic acid

InChI: InChI=1S/C9H9NO5/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,11H,5H2,(H,12,13)/t8-/m1/s1

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 1
Exact Mass 211.048072394
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey JUHYZGPSJIUDDU-MRVPVSSYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.78
Topological Polar Surface Area 100.67
Polarizability 19
Ring Count 1
Rotatable Bond Count 4

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