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84675-54-7 | 2-Butenedioic acid, 2-propyl-, dimethyl ester, (E)-
CAS No: 84675-54-7 Catalog No: AG004POP MDL No:
Product Description
Catalog Number:
AG004POP
Chemical Name:
2-Butenedioic acid, 2-propyl-, dimethyl ester, (E)-
CAS Number:
84675-54-7
Molecular Formula:
C9H14O4
Molecular Weight:
186.2051
IUPAC Name:
dimethyl 2-propylbut-2-enedioate
InChI:
InChI=1S/C9H14O4/c1-4-5-7(9(11)13-3)6-8(10)12-2/h6H,4-5H2,1-3H3
InChI Key:
ZXVPTHIJFDWQOD-UHFFFAOYSA-N
SMILES:
CCC/C(=C\C(=O)OC)/C(=O)OC
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.207g/mol
Monoisotopic Mass:
186.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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