(2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

(2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

CAS: 70918-53-5

Formula: C9H8O4

SMILES: OC(=O)[C@H]1COC2=C(O1)C=CC=C2

IUPAC: (2R)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid

InChI: InChI=1S/C9H8O4/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H,10,11)/t8-/m1/s1

Composition: C (60.00%), H (4.48%), O (35.52%)

Molar Mass: 180.159

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	180.042258738
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HMBHAQMOBKLWRX-MRVPVSSYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.85
Topological Polar Surface Area	55.76
Polarizability	17.06
Ring Count	2
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	70918-53-5		$35.19-$67.28$35.19$67.28

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	70918-53-5		$136.08-$510.30$136.08$510.30

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	70918-53-5		$41.61-$2,875.08$41.61$68.09$100.88$651.94$2,875.08