(2E)-3-(2H-1,3-benzodioxol-4-yl)prop-2-enoic acid

(2E)-3-(2H-1,3-benzodioxol-4-yl)prop-2-enoic acid

CAS: 38489-70-2

Formula: C10H8O4

SMILES: OC(=O)C=CC1=CC=CC2=C1OCO2

IUPAC: (2E)-3-(2H-1,3-benzodioxol-4-yl)prop-2-enoic acid

InChI: InChI=1S/C10H8O4/c11-9(12)5-4-7-2-1-3-8-10(7)14-6-13-8/h1-5H,6H2,(H,11,12)/b5-4+

Composition: C (62.50%), H (4.20%), O (33.30%)

Molar Mass: 192.17

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	192.042258738
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	NWSIULATLGKZGF-SNAWJCMRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.83
Topological Polar Surface Area	55.76
Polarizability	18.63
Ring Count	2
Rotatable Bond Count	2

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95%	<5 Days	38489-70-2		$462.00-$4,136.00$462.00$2,200.00$4,136.00