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113518-74-4 | Butanoic acid, 1-ethoxypropyl ester
CAS No: 113518-74-4 Catalog No: AG0008UP MDL No:
Product Description
Catalog Number:
AG0008UP
Chemical Name:
Butanoic acid, 1-ethoxypropyl ester
CAS Number:
113518-74-4
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
1-ethoxypropyl butanoate
InChI:
InChI=1S/C9H18O3/c1-4-7-8(10)12-9(5-2)11-6-3/h9H,4-7H2,1-3H3
InChI Key:
HNDFOUAQFLFPPW-UHFFFAOYSA-N
SMILES:
CCOC(OC(=O)CCC)CC
Properties
Complexity:
123
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:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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