Name: Name:1-(1,3-dioxaindane-5-carbonyl)pyrrolidine-2-carboxylic acid
Brand: Angene
SKU: AG01DUCB
Rating: 90 (10 reviews)

1-(1,3-dioxaindane-5-carbonyl)pyrrolidine-2-carboxylic acid

CAS No.:

142962-04-7

Catalog Number:

AG01DUCB

Molecular Formula:

C13H13NO5

Molecular Weight:

263.2460

Catalog Number:

AG01DUCB

Chemical Name:

1-(1,3-dioxaindane-5-carbonyl)pyrrolidine-2-carboxylic acid

CAS Number:

142962-04-7

Molecular Formula:

C13H13NO5

Molecular Weight:

263.2460

MDL Number:

MFCD09050078

IUPAC Name:

1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxylic acid

InChI:

InChI=1S/C13H13NO5/c15-12(14-5-1-2-9(14)13(16)17)8-3-4-10-11(6-8)19-7-18-10/h3-4,6,9H,1-2,5,7H2,(H,16,17)

InChI Key:

PTNAENHSKZUBGX-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCCN1C(=O)c1ccc2c(c1)OCO2

Complexity:

385

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.249g/mol

Monoisotopic Mass:

263.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3