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100048-41-7 | Decanedioic acid, 5-methyl-
CAS No: 100048-41-7 Catalog No: AG0000OH MDL No:
Product Description
Catalog Number:
AG0000OH
Chemical Name:
Decanedioic acid, 5-methyl-
CAS Number:
100048-41-7
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
IUPAC Name:
5-methyldecanedioic acid
InChI:
InChI=1S/C11H20O4/c1-9(6-4-8-11(14)15)5-2-3-7-10(12)13/h9H,2-8H2,1H3,(H,12,13)(H,14,15)
InChI Key:
OQHNDXREEJTBDA-UHFFFAOYSA-N
SMILES:
CC(CCCC(=O)O)CCCCC(=O)O
Properties
Complexity:
201
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:
2
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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