Name: Name:1,1-Cyclobutanedicarboxylic acid, 1-(1,1-dimethylethyl) 1-(phenylmethyl) ester
Brand: Angene
SKU: AG001T48
Rating: 90 (10 reviews)

1,1-Cyclobutanedicarboxylic acid, 1-(1,1-dimethylethyl) 1-(phenylmethyl) ester

CAS No.:

1624260-33-8

Catalog Number:

AG001T48

Molecular Formula:

C17H22O4

Molecular Weight:

290.3542

Catalog Number:

AG001T48

Chemical Name:

1,1-Cyclobutanedicarboxylic acid, 1-(1,1-dimethylethyl) 1-(phenylmethyl) ester

CAS Number:

1624260-33-8

Molecular Formula:

C17H22O4

Molecular Weight:

290.3542

MDL Number:

MFCD27956862

IUPAC Name:

1-O-benzyl 1-O'-tert-butyl cyclobutane-1,1-dicarboxylate

InChI:

InChI=1S/C17H22O4/c1-16(2,3)21-15(19)17(10-7-11-17)14(18)20-12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3

InChI Key:

BQKQWDDDIZLWIS-UHFFFAOYSA-N

SMILES:

O=C(C1(CCC1)C(=O)OC(C)(C)C)OCc1ccccc1

Complexity:

384

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

290.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

290.359g/mol

Monoisotopic Mass:

290.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5