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68900-95-8 | 2-hydroxyethyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate
CAS No: 68900-95-8 Catalog No: AG006FVD MDL No:
Product Description
Catalog Number:
AG006FVD
Chemical Name:
2-hydroxyethyl 3-(2-benzyl-1,3-dioxolan-2-yl)propanoate
CAS Number:
68900-95-8
Molecular Formula:
C15H20O5
Molecular Weight:
280.3163
IUPAC Name:
N-[6-[(2-cyano-4,6-dinitrophenyl)diazenyl]-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-7-yl]propanamide
InChI:
InChI=1S/C24H27N7O5/c1-6-22(32)26-18-11-20-17(14(3)12-24(4,5)29(20)7-2)10-19(18)27-28-23-15(13-25)8-16(30(33)34)9-21(23)31(35)36/h8-11,14H,6-7,12H2,1-5H3,(H,26,32)
InChI Key:
AHKSRSQWXRJWII-UHFFFAOYSA-N
SMILES:
OCCOC(=O)CCC1(OCCO1)Cc1ccccc1
EC Number:
272-644-2
Properties
Complexity:
920
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.207g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
493.524g/mol
Monoisotopic Mass:
493.207g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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