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101083-39-0 | Pentanedioic acid, 2,4-dipentyl-
CAS No: 101083-39-0 Catalog No: AG0003PM MDL No:
Product Description
Catalog Number:
AG0003PM
Chemical Name:
Pentanedioic acid, 2,4-dipentyl-
CAS Number:
101083-39-0
Molecular Formula:
C15H28O4
Molecular Weight:
272.3804
IUPAC Name:
2,4-dipentylpentanedioic acid
InChI:
InChI=1S/C15H28O4/c1-3-5-7-9-12(14(16)17)11-13(15(18)19)10-8-6-4-2/h12-13H,3-11H2,1-2H3,(H,16,17)(H,18,19)
InChI Key:
QBFNRBYGUIAIBK-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)O)CC(C(=O)O)CCCCC
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.199g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.385g/mol
Monoisotopic Mass:
272.199g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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