4-methyl-3-(pyrrolidin-1-yl)benzoic acid

4-methyl-3-(pyrrolidin-1-yl)benzoic acid

CAS: 107946-74-7

Formula: C12H15NO2

SMILES: CC1=C(C=C(C=C1)C(O)=O)N1CCCC1

IUPAC: 4-methyl-3-(pyrrolidin-1-yl)benzoic acid

InChI: InChI=1S/C12H15NO2/c1-9-4-5-10(12(14)15)8-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)

Composition: C (70.22%), H (7.37%), N (6.82%), O (15.59%)

Molar Mass: 205.257

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	205.110278727
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WFIMETDAYDXAMM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.32
Topological Polar Surface Area	40.54
Polarizability	22.19
Ring Count	2
Rotatable Bond Count	2

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