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15586-11-5 | Carbonochloridic acid, 1-methylheptyl ester
CAS No: 15586-11-5 Catalog No: AG001OAM MDL No:
Product Description
Catalog Number:
AG001OAM
Chemical Name:
Carbonochloridic acid, 1-methylheptyl ester
CAS Number:
15586-11-5
Molecular Formula:
C9H17ClO2
Molecular Weight:
192.6831
IUPAC Name:
octan-2-yl carbonochloridate
InChI:
InChI=1S/C9H17ClO2/c1-3-4-5-6-7-8(2)12-9(10)11/h8H,3-7H2,1-2H3
InChI Key:
RDQJDTOPBOAIKG-UHFFFAOYSA-N
SMILES:
CCCCCCC(OC(=O)Cl)C
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.092g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.683g/mol
Monoisotopic Mass:
192.092g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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