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149577-05-9 | Propanoic acid, 3-(2-methoxyethoxy)-
CAS No: 149577-05-9 Catalog No: AG001LUB MDL No:MFCD09939037
Product Description
Catalog Number:
AG001LUB
Chemical Name:
Propanoic acid, 3-(2-methoxyethoxy)-
CAS Number:
149577-05-9
Molecular Formula:
C6H12O4
Molecular Weight:
148.1571
MDL Number:
MFCD09939037
IUPAC Name:
3-(2-methoxyethoxy)propanoic acid
InChI:
InChI=1S/C6H12O4/c1-9-4-5-10-3-2-6(7)8/h2-5H2,1H3,(H,7,8)
InChI Key:
KWMXBFIAGYXCCC-UHFFFAOYSA-N
SMILES:
COCCOCCC(=O)O
Properties
Complexity:
91.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.158g/mol
Monoisotopic Mass:
148.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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