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14144-35-5 | Propanoic acid, 3-ethoxy-, butyl ester
CAS No: 14144-35-5 Catalog No: AG001GE5 MDL No:
Product Description
Catalog Number:
AG001GE5
Chemical Name:
Propanoic acid, 3-ethoxy-, butyl ester
CAS Number:
14144-35-5
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
butyl 3-ethoxypropanoate
InChI:
InChI=1S/C9H18O3/c1-3-5-7-12-9(10)6-8-11-4-2/h3-8H2,1-2H3
InChI Key:
MVWVAXBILFBQIZ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CCOCC
NSC Number:
404975
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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