Name: Name:4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid
Brand: Angene
SKU: AG00J53L
Rating: 90 (10 reviews)

4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid

CAS No.:

861582-85-6

Catalog Number:

AG00J53L

Molecular Formula:

C9H11NO3

Molecular Weight:

181.1885

Catalog Number:

AG00J53L

Chemical Name:

4-formyl-1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid

CAS Number:

861582-85-6

Molecular Formula:

C9H11NO3

Molecular Weight:

181.1885

MDL Number:

MFCD14281673

IUPAC Name:

4-formyl-1,2,5-trimethylpyrrole-3-carboxylic acid

InChI:

InChI=1S/C9H11NO3/c1-5-7(4-11)8(9(12)13)6(2)10(5)3/h4H,1-3H3,(H,12,13)

InChI Key:

FXVSUGBIKIXSGV-UHFFFAOYSA-N

SMILES:

O=Cc1c(C)n(c(c1C(=O)O)C)C

Complexity:

229

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

181.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

181.191g/mol

Monoisotopic Mass:

181.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5