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850704-74-4 | Pentanedioic acid, 3-(1-formylpropyl)-, dimethyl ester
CAS No: 850704-74-4 Catalog No: AG004OOX MDL No:
Product Description
Catalog Number:
AG004OOX
Chemical Name:
Pentanedioic acid, 3-(1-formylpropyl)-, dimethyl ester
CAS Number:
850704-74-4
Molecular Formula:
C11H18O5
Molecular Weight:
230.2576
IUPAC Name:
dimethyl 3-(1-oxobutan-2-yl)pentanedioate
InChI:
InChI=1S/C11H18O5/c1-4-8(7-12)9(5-10(13)15-2)6-11(14)16-3/h7-9H,4-6H2,1-3H3
InChI Key:
XEJPSBVEPDYXCV-UHFFFAOYSA-N
SMILES:
CCC(C(CC(=O)OC)CC(=O)OC)C=O
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.26g/mol
Monoisotopic Mass:
230.115g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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