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72276-04-1 | 1,1-dichloroethene; 2-ethylhexyl prop-2-enoate; oxiran-2-ylmethyl 2-methylprop-2-enoate
CAS No: 72276-04-1 Catalog No: AG005IG0 MDL No:
Product Description
Catalog Number:
AG005IG0
Chemical Name:
1,1-dichloroethene; 2-ethylhexyl prop-2-enoate; oxiran-2-ylmethyl 2-methylprop-2-enoate
CAS Number:
72276-04-1
Molecular Formula:
C20H32Cl2O5
Molecular Weight:
423.3711
IUPAC Name:
1,1-dichloroethene;2-ethylhexyl prop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
InChI:
InChI=1S/C11H20O2.C7H10O3.C2H2Cl2/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-5(2)7(8)10-4-6-3-9-6;1-2(3)4/h6,10H,3-5,7-9H2,1-2H3;6H,1,3-4H2,2H3;1H2
InChI Key:
BLQALMDAKWEQKW-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCC1CO1.ClC(=C)Cl.CCCCC(COC(=O)C=C)CC
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.163g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.371g/mol
Monoisotopic Mass:
422.163g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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