Name: Name:1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Brand: Angene
SKU: AG00IH4A
Rating: 90 (10 reviews)

1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

CAS No.:

923825-61-0

Catalog Number:

AG00IH4A

Molecular Formula:

C14H15NO3

Molecular Weight:

245.2738

Catalog Number:

AG00IH4A

Chemical Name:

1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

CAS Number:

923825-61-0

Molecular Formula:

C14H15NO3

Molecular Weight:

245.2738

MDL Number:

MFCD08444789

IUPAC Name:

1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylic acid

InChI:

InChI=1S/C14H15NO3/c1-9-7-13(14(16)17)10(2)15(9)11-5-4-6-12(8-11)18-3/h4-8H,1-3H3,(H,16,17)

InChI Key:

QDOWJCCLKPGBJG-UHFFFAOYSA-N

SMILES:

COc1cccc(c1)n1c(C)cc(c1C)C(=O)O

Complexity:

307

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.278g/mol

Monoisotopic Mass:

245.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6