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13023-65-9 | Pentanoyl chloride, 2,2-diethyl-
CAS No: 13023-65-9 Catalog No: AG000U61 MDL No:
Product Description
Catalog Number:
AG000U61
Chemical Name:
Pentanoyl chloride, 2,2-diethyl-
CAS Number:
13023-65-9
Molecular Formula:
C9H17ClO
Molecular Weight:
176.6837
IUPAC Name:
2,2-diethylpentanoyl chloride
InChI:
InChI=1S/C9H17ClO/c1-4-7-9(5-2,6-3)8(10)11/h4-7H2,1-3H3
InChI Key:
CVURREQGLOFEIO-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)Cl)(CC)CC
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.097g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.684g/mol
Monoisotopic Mass:
176.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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