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101567-38-8 | Pentanedioic acid, 3-methylene-, 1,5-dimethyl ester
CAS No: 101567-38-8 Catalog No: AG0004TW MDL No:
Product Description
Catalog Number:
AG0004TW
Chemical Name:
Pentanedioic acid, 3-methylene-, 1,5-dimethyl ester
CAS Number:
101567-38-8
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
IUPAC Name:
dimethyl 3-methylidenepentanedioate
InChI:
InChI=1S/C8H12O4/c1-6(4-7(9)11-2)5-8(10)12-3/h1,4-5H2,2-3H3
InChI Key:
KLYCSEKGIVPKSK-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=C)CC(=O)OC
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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