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133-08-4 | Propanedioic acid, 2-butyl-, 1,3-diethyl ester
CAS No: 133-08-4 Catalog No: AG0011HK MDL No:MFCD00009170
Product Description
Catalog Number:
AG0011HK
Chemical Name:
Propanedioic acid, 2-butyl-, 1,3-diethyl ester
CAS Number:
133-08-4
Molecular Formula:
C11H20O4
Molecular Weight:
216.2741
MDL Number:
MFCD00009170
IUPAC Name:
diethyl 2-butylpropanedioate
InChI:
InChI=1S/C11H20O4/c1-4-7-8-9(10(12)14-5-2)11(13)15-6-3/h9H,4-8H2,1-3H3
InChI Key:
RPNFNBGRHCUORR-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OCC)C(=O)OCC
EC Number:
205-089-1
UNII:
CYY2Q744WB
NSC Number:
4565
Properties
Complexity:
183
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:
0
Isotope Atom Count:
0
Molecular Weight:
216.277g/mol
Monoisotopic Mass:
216.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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