Name: Name:5-(4-Methyl-piperidin-1-ylmethyl)-furan-2-carboxylic acid
Brand: Angene
SKU: AG0046S9
Rating: 90 (10 reviews)

5-(4-Methyl-piperidin-1-ylmethyl)-furan-2-carboxylic acid

CAS No.:

883543-32-6

Catalog Number:

AG0046S9

Molecular Formula:

C12H17NO3

Molecular Weight:

223.2683

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Purity

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Price(USD)

Quantity

95%

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United States

$96

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Catalog Number:

AG0046S9

Chemical Name:

5-(4-Methyl-piperidin-1-ylmethyl)-furan-2-carboxylic acid

CAS Number:

883543-32-6

Molecular Formula:

C12H17NO3

Molecular Weight:

223.2683

MDL Number:

MFCD08144738

IUPAC Name:

5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid

InChI:

InChI=1S/C12H17NO3/c1-9-4-6-13(7-5-9)8-10-2-3-11(16-10)12(14)15/h2-3,9H,4-8H2,1H3,(H,14,15)

InChI Key:

PBBKTCULMQMPMT-UHFFFAOYSA-N

SMILES:

CC1CCN(CC1)Cc1ccc(o1)C(=O)O

Complexity:

249

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.121g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.272g/mol

Monoisotopic Mass:

223.121g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3