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10213-74-8 | Propanoic acid, 3-(2-ethylbutoxy)-
CAS No: 10213-74-8 Catalog No: AG0006Q1 MDL No:
Product Description
Catalog Number:
AG0006Q1
Chemical Name:
Propanoic acid, 3-(2-ethylbutoxy)-
CAS Number:
10213-74-8
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
IUPAC Name:
3-(2-ethylbutoxy)propanoic acid
InChI:
InChI=1S/C9H18O3/c1-3-8(4-2)7-12-6-5-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChI Key:
ZLPVZWUOBAHGNY-UHFFFAOYSA-N
SMILES:
CCC(COCCC(=O)O)CC
EC Number:
233-518-2
Properties
Complexity:
119
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:
1
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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