2-methyl-3-(thiophen-2-yl)propanoic acid

2-methyl-3-(thiophen-2-yl)propanoic acid

CAS: 104483-15-0

Formula: C8H10O2S

SMILES: CC(CC1=CC=CS1)C(O)=O

IUPAC: 2-methyl-3-(thiophen-2-yl)propanoic acid

InChI: InChI=1/C8H10O2S/c1-6(8(9)10)5-7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H,9,10)

Composition: C (56.45%), H (5.92%), O (18.80%), S (18.83%)

Molar Mass: 170.23

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	170.040150736
Formal Charge	0
FSP3	0.37
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YAUVRHSZEQIRJG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.58
Topological Polar Surface Area	37.3
Polarizability	16.89
Ring Count	1
Rotatable Bond Count	3

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