Name: Name:1H-Pyrrole-2-carboxylicacid, 1-methyl-4-(1-naphthalenylcarbonyl)-
Brand: Angene
SKU: AG0065C5
Rating: 90 (10 reviews)

1H-Pyrrole-2-carboxylicacid, 1-methyl-4-(1-naphthalenylcarbonyl)-

CAS No.:

70696-66-1

Catalog Number:

AG0065C5

Molecular Formula:

C17H13NO3

Molecular Weight:

279.2900

Catalog Number:

AG0065C5

Chemical Name:

1H-Pyrrole-2-carboxylicacid, 1-methyl-4-(1-naphthalenylcarbonyl)-

CAS Number:

70696-66-1

Molecular Formula:

C17H13NO3

Molecular Weight:

279.2900

MDL Number:

MFCD00867590

IUPAC Name:

1-methyl-4-(naphthalene-1-carbonyl)pyrrole-2-carboxylic acid

InChI:

InChI=1S/C17H13NO3/c1-18-10-12(9-15(18)17(20)21)16(19)14-8-4-6-11-5-2-3-7-13(11)14/h2-10H,1H3,(H,20,21)

InChI Key:

CNUPQURTHORUGH-UHFFFAOYSA-N

SMILES:

O=C(c1cccc2c1cccc2)c1cn(c(c1)C(=O)O)C

UNII:

45081SG6XT

Complexity:

422

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.295g/mol

Monoisotopic Mass:

279.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1