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857892-87-6 | Heptanoic acid,2-methyl-, anhydride with 2-methylheptanoic acid
CAS No: 857892-87-6 Catalog No: AG004XXJ MDL No:MFCD08436109
Product Description
Catalog Number:
AG004XXJ
Chemical Name:
Heptanoic acid,2-methyl-, anhydride with 2-methylheptanoic acid
CAS Number:
857892-87-6
Molecular Formula:
C16H30O3
Molecular Weight:
270.4076
MDL Number:
MFCD08436109
IUPAC Name:
2-methylheptanoyl 2-methylheptanoate
InChI:
InChI=1S/C16H30O3/c1-5-7-9-11-13(3)15(17)19-16(18)14(4)12-10-8-6-2/h13-14H,5-12H2,1-4H3
InChI Key:
RWNXHDBPCPMSIB-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)OC(=O)C(CCCCC)C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.219g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.413g/mol
Monoisotopic Mass:
270.219g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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