5-(methoxymethyl)thiophene-2-carboxylic acid

5-(methoxymethyl)thiophene-2-carboxylic acid

CAS: 61855-04-7

Formula: C7H8O3S

SMILES: COCC1=CC=C(S1)C(O)=O

IUPAC: 5-(methoxymethyl)thiophene-2-carboxylic acid

InChI: InChI=1S/C7H8O3S/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3,(H,8,9)

Composition: C (48.83%), H (4.68%), O (27.87%), S (18.62%)

Molar Mass: 172.2

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.019415292
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RYFSRJFRRLRADM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.56
Topological Polar Surface Area	46.53
Polarizability	15.81
Ring Count	1
Rotatable Bond Count	3

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