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123-25-1 | Butanedioic acid, 1,4-diethyl ester
CAS No: 123-25-1 Catalog No: AG000JWD MDL No:MFCD00009208
Product Description
Catalog Number:
AG000JWD
Chemical Name:
Butanedioic acid, 1,4-diethyl ester
CAS Number:
123-25-1
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD00009208
IUPAC Name:
diethyl butanedioate
InChI:
InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
InChI Key:
DKMROQRQHGEIOW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)OCC
EC Number:
204-612-0
UNII:
ELP55C13DR
NSC Number:
8875
FEMA Number:
2377
RTECS Number:
WM7400000
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
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