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113923-27-6 | Butanedioic acid, hexyl-, monomethyl ester (9CI)
CAS No: 113923-27-6 Catalog No: AG000A36 MDL No:
Product Description
Catalog Number:
AG000A36
Chemical Name:
Butanedioic acid, hexyl-, monomethyl ester (9CI)
CAS Number:
113923-27-6
Molecular Formula:
C11H19O4-
Molecular Weight:
215.2662
IUPAC Name:
3-methoxycarbonylnonanoate
InChI:
InChI=1S/C11H20O4/c1-3-4-5-6-7-9(8-10(12)13)11(14)15-2/h9H,3-8H2,1-2H3,(H,12,13)/p-1
InChI Key:
BSSNLIBSSQSUAA-UHFFFAOYSA-M
SMILES:
CCCCCCC(C(=O)OC)CC(=O)[O-]
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.128g/mol
Formal Charge:
-1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.269g/mol
Monoisotopic Mass:
215.128g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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