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87321-84-4 | Oxiraneoctanoic acid, methyl ester
CAS No: 87321-84-4 Catalog No: AG004OO1 MDL No:
Product Description
Catalog Number:
AG004OO1
Chemical Name:
Oxiraneoctanoic acid, methyl ester
CAS Number:
87321-84-4
Molecular Formula:
C11H20O3
Molecular Weight:
200.2747
IUPAC Name:
methyl 8-(oxiran-2-yl)octanoate
InChI:
InChI=1S/C11H20O3/c1-13-11(12)8-6-4-2-3-5-7-10-9-14-10/h10H,2-9H2,1H3
InChI Key:
JMKMKVPLEQYRBF-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCC1CO1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.278g/mol
Monoisotopic Mass:
200.141g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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