Name: Name:5-(3-Hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carboxylic acid
Brand: Angene
SKU: AG00GVX0
Rating: 90 (10 reviews)

5-(3-Hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carboxylic acid

CAS No.:

886505-51-7

Catalog Number:

AG00GVX0

Molecular Formula:

C10H10O3S

Molecular Weight:

210.2496

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Purity

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Quantity

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United States

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Catalog Number:

AG00GVX0

Chemical Name:

5-(3-Hydroxy-3-methylbut-1-yn-1-yl)thiophene-2-carboxylic acid

CAS Number:

886505-51-7

Molecular Formula:

C10H10O3S

Molecular Weight:

210.2496

MDL Number:

MFCD06740204

IUPAC Name:

5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carboxylic acid

InChI:

InChI=1S/C10H10O3S/c1-10(2,13)6-5-7-3-4-8(14-7)9(11)12/h3-4,13H,1-2H3,(H,11,12)

InChI Key:

KQYYVOWGEQQGGW-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(s1)C#CC(O)(C)C

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.247g/mol

Monoisotopic Mass:

210.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6