Name: Name:2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid
Brand: Angene
SKU: AG01BVTS
Rating: 90 (10 reviews)

2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid

CAS No.:

42866-02-4

Catalog Number:

AG01BVTS

Molecular Formula:

C16H19NO2

Molecular Weight:

257.3276

Catalog Number:

AG01BVTS

Chemical Name:

2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetic acid

CAS Number:

42866-02-4

Molecular Formula:

C16H19NO2

Molecular Weight:

257.3276

MDL Number:

MFCD01688619

IUPAC Name:

2-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid

InChI:

InChI=1S/C16H19NO2/c1-10-5-11(2)7-15(6-10)17-12(3)8-14(13(17)4)9-16(18)19/h5-8H,9H2,1-4H3,(H,18,19)

InChI Key:

KCKZRQBZOVWQSP-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1cc(n(c1C)c1cc(C)cc(c1)C)C

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.142g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.333g/mol

Monoisotopic Mass:

257.142g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3