hydroxy(3-nitrophenyl)acetic acid

hydroxy(3-nitrophenyl)acetic acid

CAS: 42164-79-4

Formula: C8H7NO5

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

IUPAC: 2-hydroxy-2-(3-nitrophenyl)acetic acid

InChI: InChI=1/C8H7NO5/c10-7(8(11)12)5-2-1-3-6(4-5)9(13)14/h1-4,7,10H,(H,11,12)

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	1
Exact Mass	197.032422329
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	KNSULVUQBMUBCX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.02
Topological Polar Surface Area	100.67
Polarizability	17.18
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	42164-79-4		$70.13-$180.46$70.13$180.46