3-methyl-1H-indole-5-carboxylic acid

3-methyl-1H-indole-5-carboxylic acid

CAS: 588688-44-2

Formula: C10H9NO2

SMILES: CC1=CNC2=CC=C(C=C12)C(O)=O

IUPAC: 3-methyl-1H-indole-5-carboxylic acid

InChI: InChI=1S/C10H9NO2/c1-6-5-11-9-3-2-7(10(12)13)4-8(6)9/h2-5,11H,1H3,(H,12,13)

Composition: C (68.56%), H (5.18%), N (8.00%), O (18.27%)

Molar Mass: 175.187

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	175.063328534
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	NZUSFHSAVRYCPU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.44
Topological Polar Surface Area	53.09
Polarizability	19.62
Ring Count	2
Rotatable Bond Count	1

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