Name: Name:2,5-dimethyl-1-(oxan-4-yl)-1H-pyrrole-3-carboxylic acid
Brand: Angene
SKU: AG01B5OK
Rating: 90 (10 reviews)

2,5-dimethyl-1-(oxan-4-yl)-1H-pyrrole-3-carboxylic acid

CAS No.:

1155632-23-7

Catalog Number:

AG01B5OK

Molecular Formula:

C12H17NO3

Molecular Weight:

223.2683

Catalog Number:

AG01B5OK

Chemical Name:

2,5-dimethyl-1-(oxan-4-yl)-1H-pyrrole-3-carboxylic acid

CAS Number:

1155632-23-7

Molecular Formula:

C12H17NO3

Molecular Weight:

223.2683

MDL Number:

MFCD12088304

IUPAC Name:

2,5-dimethyl-1-(oxan-4-yl)pyrrole-3-carboxylic acid

InChI:

InChI=1S/C12H17NO3/c1-8-7-11(12(14)15)9(2)13(8)10-3-5-16-6-4-10/h7,10H,3-6H2,1-2H3,(H,14,15)

InChI Key:

QRNGMKSVMXQJJD-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(n(c1C)C1CCOCC1)C

Complexity:

263

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:

51.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3