methyl 4-hydroxycinnoline-3-carboxylate

methyl 4-hydroxycinnoline-3-carboxylate

CAS: 17762-13-9

Formula: C10H8N2O3

SMILES: COC(=O)C1=C(O)C2=CC=CC=C2N=N1

IUPAC: methyl 4-hydroxycinnoline-3-carboxylate

InChI: InChI=1S/C10H8N2O3/c1-15-10(14)8-9(13)6-4-2-3-5-7(6)11-12-8/h2-5H,1H3,(H,11,13)

Composition: C (58.82%), H (3.95%), N (13.72%), O (23.51%)

Molar Mass: 204.185

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	204.053492126
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RVNSWWNJUGEWOR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.48
Topological Polar Surface Area	72.31
Polarizability	21.1
Ring Count	2
Rotatable Bond Count	2

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