Name: Name:2-methyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylic acid
Brand: Angene
SKU: AG01BCHU
Rating: 90 (10 reviews)

2-methyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylic acid

CAS No.:

1514322-08-7

Catalog Number:

AG01BCHU

Molecular Formula:

C9H13NO2

Molecular Weight:

167.2050

Catalog Number:

AG01BCHU

Chemical Name:

2-methyl-1-(propan-2-yl)-1H-pyrrole-3-carboxylic acid

CAS Number:

1514322-08-7

Molecular Formula:

C9H13NO2

Molecular Weight:

167.2050

MDL Number:

MFCD26636915

IUPAC Name:

2-methyl-1-propan-2-ylpyrrole-3-carboxylic acid

InChI:

InChI=1S/C9H13NO2/c1-6(2)10-5-4-8(7(10)3)9(11)12/h4-6H,1-3H3,(H,11,12)

InChI Key:

ZDPWRSPHMABPFD-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccn(c1C)C(C)C

Complexity:

179

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.208g/mol

Monoisotopic Mass:

167.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3