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1009375-04-5 | Spiro[2H-1-benzopyran-2,4'-piperidine]-1',4-dicarboxylic acid, 3,4-dihydro-, 1'-(1,1-dimethylethyl) ester
CAS No: 1009375-04-5 Catalog No: AG00038P MDL No:MFCD12198636
Product Description
Catalog Number:
AG00038P
Chemical Name:
Spiro[2H-1-benzopyran-2,4'-piperidine]-1',4-dicarboxylic acid, 3,4-dihydro-, 1'-(1,1-dimethylethyl) ester
CAS Number:
1009375-04-5
Molecular Formula:
C19H24NO5-
Molecular Weight:
346.3976
MDL Number:
MFCD12198636
IUPAC Name:
1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-carboxylic acid
InChI:
InChI=1S/C19H25NO5/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/h4-7,14H,8-12H2,1-3H3,(H,21,22)
InChI Key:
KFYDPTLAMZWDGO-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CC2(CCN(CC2)C(=O)OC(C)(C)C)Oc2c1cccc2
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.173g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.411g/mol
Monoisotopic Mass:
347.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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