Name: Name:1,2-Pyrazolidinedicarboxylic acid, 1-(1,1-diMethylethyl) 2-(phenylMethyl) ester
Brand: Angene
SKU: AG00F1DF
Rating: 90 (10 reviews)

1,2-Pyrazolidinedicarboxylic acid, 1-(1,1-diMethylethyl) 2-(phenylMethyl) ester

CAS No.:

57699-89-5

Catalog Number:

AG00F1DF

Molecular Formula:

C16H22N2O4

Molecular Weight:

306.3569

Catalog Number:

AG00F1DF

Chemical Name:

1,2-Pyrazolidinedicarboxylic acid, 1-(1,1-diMethylethyl) 2-(phenylMethyl) ester

CAS Number:

57699-89-5

Molecular Formula:

C16H22N2O4

Molecular Weight:

306.3569

MDL Number:

MFCD11500912

IUPAC Name:

2-O-benzyl 1-O-tert-butyl pyrazolidine-1,2-dicarboxylate

InChI:

InChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-11-7-10-17(18)14(19)21-12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3

InChI Key:

UVPBTBMYZNTBRY-UHFFFAOYSA-N

SMILES:

O=C(N1CCCN1C(=O)OC(C)(C)C)OCc1ccccc1

Complexity:

399

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

306.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

306.362g/mol

Monoisotopic Mass:

306.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8