Name: Name:1H-Pyrrole-2-carboxylic acid, 1-(1-phenylethyl)-, (R)- (9CI)
Brand: Angene
SKU: AG001ZCA
Rating: 90 (10 reviews)

1H-Pyrrole-2-carboxylic acid, 1-(1-phenylethyl)-, (R)- (9CI)

CAS No.:

173989-76-9

Catalog Number:

AG001ZCA

Molecular Formula:

C13H13NO2

Molecular Weight:

215.2478

Catalog Number:

AG001ZCA

Chemical Name:

1H-Pyrrole-2-carboxylic acid, 1-(1-phenylethyl)-, (R)- (9CI)

CAS Number:

173989-76-9

Molecular Formula:

C13H13NO2

Molecular Weight:

215.2478

MDL Number:

MFCD14697981

IUPAC Name:

1-[(1R)-1-phenylethyl]pyrrole-2-carboxylic acid

InChI:

InChI=1S/C13H13NO2/c1-10(11-6-3-2-4-7-11)14-9-5-8-12(14)13(15)16/h2-10H,1H3,(H,15,16)/t10-/m1/s1

InChI Key:

BFLKSSGFEWKBMW-SNVBAGLBSA-N

SMILES:

OC(=O)c1cccn1[C@@H](c1ccccc1)C

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.252g/mol

Monoisotopic Mass:

215.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5