7-amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

7-amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

CAS: 99358-09-5

Formula: C9H9NO4

SMILES: NC1=CC2=C(OCCO2)C=C1C(O)=O

IUPAC: 7-amino-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid

InChI: InChI=1S/C9H9NO4/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4H,1-2,10H2,(H,11,12)

Composition: C (55.39%), H (4.65%), N (7.18%), O (32.79%)

Molar Mass: 195.174

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	195.053157774
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HYJPNUZJSIEYGD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.97
Topological Polar Surface Area	81.78
Polarizability	18.2
Ring Count	2
Rotatable Bond Count	1

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	99358-09-5		$687.70-$2,748.50$687.70$2,748.50