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64921-03-5 | Pyrrolidine, 1-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-8-en-9-yl)-
CAS No: 64921-03-5 Catalog No: AG00H8HK MDL No:
Product Description
Catalog Number:
AG00H8HK
Chemical Name:
Pyrrolidine, 1-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-8-en-9-yl)-
CAS Number:
64921-03-5
Molecular Formula:
C15H25NO2
Molecular Weight:
251.3645
IUPAC Name:
1-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-en-9-yl)pyrrolidine
InChI:
InChI=1S/C15H25NO2/c1-14(2)11-17-15(18-12-14)7-5-13(6-8-15)16-9-3-4-10-16/h5H,3-4,6-12H2,1-2H3
InChI Key:
LQSJOXNDVHWQRO-UHFFFAOYSA-N
SMILES:
CC1(C)COC2(OC1)CCC(=CC2)N1CCCC1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.189g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.37g/mol
Monoisotopic Mass:
251.189g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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