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133095-95-1 | 2(3H)-Furanone, dihydro-5-(3-iodo-5-methoxy-4-propoxyphenyl)-, (S)- (9CI)
CAS No: 133095-95-1 Catalog No: AG00149B MDL No:
Product Description
Catalog Number:
AG00149B
Chemical Name:
2(3H)-Furanone, dihydro-5-(3-iodo-5-methoxy-4-propoxyphenyl)-, (S)- (9CI)
CAS Number:
133095-95-1
Molecular Formula:
C14H17IO4
Molecular Weight:
376.1868
IUPAC Name:
(5S)-5-(3-iodo-5-methoxy-4-propoxyphenyl)oxolan-2-one
InChI:
InChI=1S/C14H17IO4/c1-3-6-18-14-10(15)7-9(8-12(14)17-2)11-4-5-13(16)19-11/h7-8,11H,3-6H2,1-2H3/t11-/m0/s1
InChI Key:
AGVIEPFDAUQDNI-NSHDSACASA-N
SMILES:
CCCOc1c(I)cc(cc1OC)[C@@H]1CCC(=O)O1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
376.017g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.19g/mol
Monoisotopic Mass:
376.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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