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88931-27-5 | Oxiraneheptanoic acid, 3-(hydroxymethyl)-, methyl ester, trans-
CAS No: 88931-27-5 Catalog No: AG0048V2 MDL No:
Product Description
Catalog Number:
AG0048V2
Chemical Name:
Oxiraneheptanoic acid, 3-(hydroxymethyl)-, methyl ester, trans-
CAS Number:
88931-27-5
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
methyl 7-[3-(hydroxymethyl)oxiran-2-yl]heptanoate
InChI:
InChI=1S/C11H20O4/c1-14-11(13)7-5-3-2-4-6-9-10(8-12)15-9/h9-10,12H,2-8H2,1H3
InChI Key:
UXVNEQGVKNIWPS-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCC[C@@H]1O[C@H]1CO
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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