Name: Name:1H-Pyrrole-3-carboxylicacid,1-cyclohexyl-2,5-dimethyl-(9CI)
Brand: Angene
SKU: AG00GE8H
Rating: 90 (10 reviews)

1H-Pyrrole-3-carboxylicacid,1-cyclohexyl-2,5-dimethyl-(9CI)

CAS No.:

797798-85-7

Catalog Number:

AG00GE8H

Molecular Formula:

C13H19NO2

Molecular Weight:

221.2955

Catalog Number:

AG00GE8H

Chemical Name:

1H-Pyrrole-3-carboxylicacid,1-cyclohexyl-2,5-dimethyl-(9CI)

CAS Number:

797798-85-7

Molecular Formula:

C13H19NO2

Molecular Weight:

221.2955

MDL Number:

MFCD03668330

IUPAC Name:

1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylic acid

InChI:

InChI=1S/C13H19NO2/c1-9-8-12(13(15)16)10(2)14(9)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,15,16)

InChI Key:

AAVGWKKJNWJABL-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(n(c1C)C1CCCCC1)C

Complexity:

261

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.3g/mol

Monoisotopic Mass:

221.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7