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88986-49-6 | Carbonochloridic acid, 1-(2-propenyl)heptyl ester
CAS No: 88986-49-6 Catalog No: AG004541 MDL No:
Product Description
Catalog Number:
AG004541
Chemical Name:
Carbonochloridic acid, 1-(2-propenyl)heptyl ester
CAS Number:
88986-49-6
Molecular Formula:
C11H19ClO2
Molecular Weight:
218.7204
IUPAC Name:
dec-1-en-4-yl carbonochloridate
InChI:
InChI=1S/C11H19ClO2/c1-3-5-6-7-9-10(8-4-2)14-11(12)13/h4,10H,2-3,5-9H2,1H3
InChI Key:
ICNKADWFDHCUDV-UHFFFAOYSA-N
SMILES:
CCCCCCC(OC(=O)Cl)CC=C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.107g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.721g/mol
Monoisotopic Mass:
218.107g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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