methyl 4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-4-oxobut-2-enoate

methyl 4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-4-oxobut-2-enoate

CAS: 832741-10-3

Formula: C12H10O6

SMILES: COC(=O)C(O)=CC(=O)C1=CC=C2OCOC2=C1

IUPAC: methyl 4-(2H-1,3-benzodioxol-5-yl)-2-hydroxy-4-oxobut-2-enoate

InChI: InChI=1S/C12H10O6/c1-16-12(15)9(14)5-8(13)7-2-3-10-11(4-7)18-6-17-10/h2-5,14H,6H2,1H3

Composition: C (57.61%), H (4.03%), O (38.37%)

Molar Mass: 250.206

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.047738042
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JUZYYUOYUVXNAA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.93
Topological Polar Surface Area	82.06
Polarizability	23.32
Ring Count	2
Rotatable Bond Count	4

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