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149305-43-1 | Butanedioic acid, methylene-, ethyl 2-hydroxyethyl ester (9CI)
CAS No: 149305-43-1 Catalog No: AG001LK0 MDL No:
Product Description
Catalog Number:
AG001LK0
Chemical Name:
Butanedioic acid, methylene-, ethyl 2-hydroxyethyl ester (9CI)
CAS Number:
149305-43-1
Molecular Formula:
C9H14O5
Molecular Weight:
202.2045
IUPAC Name:
1-O-ethyl 4-O-(2-hydroxyethyl) 2-methylidenebutanedioate
InChI:
InChI=1S/C9H14O5/c1-3-13-9(12)7(2)6-8(11)14-5-4-10/h10H,2-6H2,1H3
InChI Key:
GBXSGTMCDLTIED-UHFFFAOYSA-N
SMILES:
OCCOC(=O)CC(=C)C(=O)OCC
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.206g/mol
Monoisotopic Mass:
202.084g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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