(3S)-3-amino-3-(2-nitrophenyl)propanoic acid

(3S)-3-amino-3-(2-nitrophenyl)propanoic acid

CAS: 732242-02-3

Formula: C9H10N2O4

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

IUPAC: (3S)-3-amino-3-(2-nitrophenyl)propanoic acid

InChI: InChI=1S/C9H10N2O4/c10-7(5-9(12)13)6-3-1-2-4-8(6)11(14)15/h1-4,7H,5,10H2,(H,12,13)/t7-/m0/s1

Composition: C (51.43%), H (4.80%), N (13.33%), O (30.45%)

Molar Mass: 210.189

Atom Count: 25

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	210.06405681
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	XXBOYULKNZTOMN-ZETCQYMHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.31
Topological Polar Surface Area	106.46
Polarizability	19.84
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	732242-02-3		$105.92-$321.56$105.92$145.02$321.56