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Home > Other Building Blocks > 140429-31-8
140429-31-8 | 1,2-Pentanediol, 5,5-diethoxy-3-methylene-, (2S)-
CAS No: 140429-31-8 Catalog No: AG001CEO MDL No:
Product Description
Catalog Number:
AG001CEO
Chemical Name:
1,2-Pentanediol, 5,5-diethoxy-3-methylene-, (2S)-
CAS Number:
140429-31-8
Molecular Formula:
C10H20O4
Molecular Weight:
204.2634
IUPAC Name:
(2S)-5,5-diethoxy-3-methylidenepentane-1,2-diol
InChI:
InChI=1S/C10H20O4/c1-4-13-10(14-5-2)6-8(3)9(12)7-11/h9-12H,3-7H2,1-2H3/t9-/m1/s1
InChI Key:
GKIKAJNVTFUHDU-SECBINFHSA-N
SMILES:
CCOC(CC(=C)[C@@H](CO)O)OCC
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
204.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.266g/mol
Monoisotopic Mass:
204.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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