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817-84-5 | Heptanoic acid, 3-chloro-, methyl ester
CAS No: 817-84-5 Catalog No: AG005I1R MDL No:
Product Description
Catalog Number:
AG005I1R
Chemical Name:
Heptanoic acid, 3-chloro-, methyl ester
CAS Number:
817-84-5
Molecular Formula:
C8H15ClO2
Molecular Weight:
178.6565
IUPAC Name:
methyl 3-chloroheptanoate
InChI:
InChI=1S/C8H15ClO2/c1-3-4-5-7(9)6-8(10)11-2/h7H,3-6H2,1-2H3
InChI Key:
OLXMNCRLRNVMMO-UHFFFAOYSA-N
SMILES:
CCCCC(CC(=O)OC)Cl
Properties
Complexity:
115
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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