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122270-87-5 | Pentanedioic acid, 2-methylene-, 1-methyl ester
CAS No: 122270-87-5 Catalog No: AG001718 MDL No:
Product Description
Catalog Number:
AG001718
Chemical Name:
Pentanedioic acid, 2-methylene-, 1-methyl ester
CAS Number:
122270-87-5
Molecular Formula:
C7H9O4-
Molecular Weight:
157.1440
IUPAC Name:
4-methoxycarbonylpent-4-enoate
InChI:
InChI=1S/C7H10O4/c1-5(7(10)11-2)3-4-6(8)9/h1,3-4H2,2H3,(H,8,9)/p-1
InChI Key:
BVHFJNZRTZHRQK-UHFFFAOYSA-M
SMILES:
[O-]C(=O)CCC(=C)C(=O)OC
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.05g/mol
Formal Charge:
-1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.145g/mol
Monoisotopic Mass:
157.05g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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