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88931-28-6 | Oxiraneheptanoic acid, 3-formyl-, methyl ester, trans-
CAS No: 88931-28-6 Catalog No: AG0048S7 MDL No:
Product Description
Catalog Number:
AG0048S7
Chemical Name:
Oxiraneheptanoic acid, 3-formyl-, methyl ester, trans-
CAS Number:
88931-28-6
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
IUPAC Name:
methyl 7-(3-formyloxiran-2-yl)heptanoate
InChI:
InChI=1S/C11H18O4/c1-14-11(13)7-5-3-2-4-6-9-10(8-12)15-9/h8-10H,2-7H2,1H3
InChI Key:
OLYGEHTZWVXGFX-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCC[C@@H]1O[C@H]1C=O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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