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109466-74-2 | TacroliMus Methyl Acryl Aldehyde
CAS No: 109466-74-2 Catalog No: AG008WDA MDL No:
Product Description
Catalog Number:
AG008WDA
Chemical Name:
TacroliMus Methyl Acryl Aldehyde
CAS Number:
109466-74-2
IUPAC Name:
(E)-3-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2-methylprop-2-enal
InChI:
InChI=1S/C11H18O3/c1-8(7-12)5-9-3-4-10(13)11(6-9)14-2/h5,7,9-11,13H,3-4,6H2,1-2H3/b8-5+/t9-,10+,11+/m0/s1
InChI Key:
ZTXGCGOIEHBZMQ-OJHBQYHASA-N
UNII:
D3TG17VNO3
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
1
Exact Mass:
198.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.262g/mol
Monoisotopic Mass:
198.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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