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143995-99-7 | Propanoic acid, 3,3-dimethoxy-, butyl ester
CAS No: 143995-99-7 Catalog No: AG001IQL MDL No:
Product Description
Catalog Number:
AG001IQL
Chemical Name:
Propanoic acid, 3,3-dimethoxy-, butyl ester
CAS Number:
143995-99-7
Molecular Formula:
C9H18O4
Molecular Weight:
190.2368
IUPAC Name:
butyl 3,3-dimethoxypropanoate
InChI:
InChI=1S/C9H18O4/c1-4-5-6-13-8(10)7-9(11-2)12-3/h9H,4-7H2,1-3H3
InChI Key:
JPWUJXGVNNBDFK-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CC(OC)OC
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.239g/mol
Monoisotopic Mass:
190.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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