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1572-76-5 | Butanoic acid, 3-methyl-, 1,4-butanediyl ester (9CI)
CAS No: 1572-76-5 Catalog No: AG001PA8 MDL No:
Product Description
Catalog Number:
AG001PA8
Chemical Name:
Butanoic acid, 3-methyl-, 1,4-butanediyl ester (9CI)
CAS Number:
1572-76-5
IUPAC Name:
4-(3-methylbutanoyloxy)butyl 3-methylbutanoate
InChI:
InChI=1S/C14H26O4/c1-11(2)9-13(15)17-7-5-6-8-18-14(16)10-12(3)4/h11-12H,5-10H2,1-4H3
InChI Key:
NQPMSMAZLWYHRW-UHFFFAOYSA-N
NSC Number:
53810
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.358g/mol
Monoisotopic Mass:
258.183g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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