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42103-98-0 | ISOPROPYLIDENESUCCINIC ACID DIETHYL ESTER
CAS No: 42103-98-0 Catalog No: AG003R5C MDL No:MFCD00130132
Product Description
Catalog Number:
AG003R5C
Chemical Name:
ISOPROPYLIDENESUCCINIC ACID DIETHYL ESTER
CAS Number:
42103-98-0
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
MDL Number:
MFCD00130132
IUPAC Name:
diethyl 2-propan-2-ylidenebutanedioate
InChI:
InChI=1S/C11H18O4/c1-5-14-10(12)7-9(8(3)4)11(13)15-6-2/h5-7H2,1-4H3
InChI Key:
FSUBDXPWXDGTBG-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=C(C)C)C(=O)OCC
NSC Number:
71580
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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