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74306-03-9 | Propanoic acid, 3-chloro-, pentyl ester
CAS No: 74306-03-9 Catalog No: AG005CFS MDL No:
Product Description
Catalog Number:
AG005CFS
Chemical Name:
Propanoic acid, 3-chloro-, pentyl ester
CAS Number:
74306-03-9
Molecular Formula:
C8H15ClO2
Molecular Weight:
178.6565
IUPAC Name:
pentyl 3-chloropropanoate
InChI:
InChI=1S/C8H15ClO2/c1-2-3-4-7-11-8(10)5-6-9/h2-7H2,1H3
InChI Key:
VSUKVMJYRSUJJS-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)CCCl
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.076g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.656g/mol
Monoisotopic Mass:
178.076g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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