Name: Name:Spiro[2H-1-benzopyran-2,4'-piperidine]-1',4-dicarboxylic acid, 1'-(1,1-dimethylethyl) ester
Brand: Angene
SKU: AG000BF5
Rating: 90 (10 reviews)

Spiro[2H-1-benzopyran-2,4'-piperidine]-1',4-dicarboxylic acid, 1'-(1,1-dimethylethyl) ester

CAS No.:

1160247-75-5

Catalog Number:

AG000BF5

Molecular Formula:

C19H22NO5-

Molecular Weight:

344.3817

Catalog Number:

AG000BF5

Chemical Name:

Spiro[2H-1-benzopyran-2,4'-piperidine]-1',4-dicarboxylic acid, 1'-(1,1-dimethylethyl) ester

CAS Number:

1160247-75-5

Molecular Formula:

C19H22NO5-

Molecular Weight:

344.3817

MDL Number:

MFCD12198635

IUPAC Name:

1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[chromene-2,4'-piperidine]-4-carboxylic acid

InChI:

InChI=1S/C19H23NO5/c1-18(2,3)25-17(23)20-10-8-19(9-11-20)12-14(16(21)22)13-6-4-5-7-15(13)24-19/h4-7,12H,8-11H2,1-3H3,(H,21,22)

InChI Key:

SSYZMMRKSFBCAV-UHFFFAOYSA-N

SMILES:

O=C(N1CCC2(CC1)Oc1ccccc1C(=C2)C(=O)[O-])OC(C)(C)C

Complexity:

569

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

345.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

345.395g/mol

Monoisotopic Mass:

345.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7