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19013-37-7 | Pentanedioic acid, 3-methyl-, 1,5-dimethyl ester
CAS No: 19013-37-7 Catalog No: AG002ECU MDL No:MFCD00075608
Product Description
Catalog Number:
AG002ECU
Chemical Name:
Pentanedioic acid, 3-methyl-, 1,5-dimethyl ester
CAS Number:
19013-37-7
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD00075608
IUPAC Name:
dimethyl 3-methylpentanedioate
InChI:
InChI=1S/C8H14O4/c1-6(4-7(9)11-2)5-8(10)12-3/h6H,4-5H2,1-3H3
InChI Key:
YIJLMTNDXYVGPQ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(CC(=O)OC)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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