3-(4,6-dimethyl-1H-1,3-benzodiazol-2-yl)propanoic acid

3-(4,6-dimethyl-1H-1,3-benzodiazol-2-yl)propanoic acid

CAS: 883549-92-6

Formula: C12H14N2O2

SMILES: CC1=CC(C)=C2N=C(CCC(O)=O)NC2=C1

IUPAC: 3-(4,6-dimethyl-1H-1,3-benzodiazol-2-yl)propanoic acid

InChI: InChI=1S/C12H14N2O2/c1-7-5-8(2)12-9(6-7)13-10(14-12)3-4-11(15)16/h5-6H,3-4H2,1-2H3,(H,13,14)(H,15,16)

Composition: C (66.04%), H (6.47%), N (12.84%), O (14.66%)

Molar Mass: 218.256

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	218.105527699
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	GWBPWCASJGEFLO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.38
Topological Polar Surface Area	65.98
Polarizability	24.2
Ring Count	2
Rotatable Bond Count	3

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