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1587-19-5 | Butanedioic acid, 2-hydroxy-, 1,4-bis(3-methylbutyl) ester
CAS No: 1587-19-5 Catalog No: AG001QRR MDL No:
Product Description
Catalog Number:
AG001QRR
Chemical Name:
Butanedioic acid, 2-hydroxy-, 1,4-bis(3-methylbutyl) ester
CAS Number:
1587-19-5
Molecular Formula:
C14H26O5
Molecular Weight:
274.3532
IUPAC Name:
bis(3-methylbutyl) 2-hydroxybutanedioate
InChI:
InChI=1S/C14H26O5/c1-10(2)5-7-18-13(16)9-12(15)14(17)19-8-6-11(3)4/h10-12,15H,5-9H2,1-4H3
InChI Key:
FNQVCKJDSDFDTE-UHFFFAOYSA-N
SMILES:
CC(CCOC(=O)CC(C(=O)OCCC(C)C)O)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.357g/mol
Monoisotopic Mass:
274.178g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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