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67874-54-8 | octyloxyacetaldehyde
CAS No: 67874-54-8 Catalog No: AG006IIM MDL No:
Product Description
Catalog Number:
AG006IIM
Chemical Name:
octyloxyacetaldehyde
CAS Number:
67874-54-8
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
2-[bis[2-(2-ethylhexanoyloxy)ethylsulfanyl]-methylstannyl]sulfanylethyl 2-ethylhexanoate
InChI:
InChI=1S/3C10H20O2S.CH3.Sn/c3*1-3-5-6-9(4-2)10(11)12-7-8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3
InChI Key:
YRULUXDRMGWMDA-UHFFFAOYSA-K
SMILES:
CCCCCCCCOCC=O
EC Number:
267-481-9
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
744.257g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
743.705g/mol
Monoisotopic Mass:
744.257g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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