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Home > Other Heterocycles > 89149-17-7
89149-17-7 | 1-Thia-4-azaspiro[4.5]dec-3-ene-2-pentanoic acid, methyl ester
CAS No: 89149-17-7 Catalog No: AG003XHT MDL No:
Product Description
Catalog Number:
AG003XHT
Chemical Name:
1-Thia-4-azaspiro[4.5]dec-3-ene-2-pentanoic acid, methyl ester
CAS Number:
89149-17-7
Molecular Formula:
C14H23NO2S
Molecular Weight:
269.4029
IUPAC Name:
methyl 5-(1-thia-4-azaspiro[4.5]dec-3-en-2-yl)pentanoate
InChI:
InChI=1S/C14H23NO2S/c1-17-13(16)8-4-3-7-12-11-15-14(18-12)9-5-2-6-10-14/h11-12H,2-10H2,1H3
InChI Key:
AWMJHPQFRWEHCV-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCC1C=NC2(S1)CCCCC2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.145g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.403g/mol
Monoisotopic Mass:
269.145g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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