sodium 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate

sodium 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate

CAS: 848318-25-2

Formula: C18H15N2NaO4

SMILES: [Na+].COC1=C2C=CC=CN2C(C(=O)C2=CC(C([O-])=O)=C(N)C=C2)=C1C

IUPAC: sodium 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate

InChI: InChI=1S/C18H16N2O4.Na/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23;/h3-9H,19H2,1-2H3,(H,22,23);/q;+1/p-1

Composition: C (62.43%), H (4.37%), N (8.09%), Na (6.64%), O (18.48%)

Molar Mass: 346.318

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	346.09295125
Formal Charge	0
FSP3	0.11
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JFBMSTWZURKQOC-UHFFFAOYSA-M
Lipinski's Rule of Five	1
Molar Refractivity	102.89
Topological Polar Surface Area	96.86
Polarizability	34.16
Ring Count	3
Rotatable Bond Count	4

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