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189955-91-7 | Acetic acid, 2-(1-ethylpropoxy)-
CAS No: 189955-91-7 Catalog No: AG002E6D MDL No:MFCD11520462
Product Description
Catalog Number:
AG002E6D
Chemical Name:
Acetic acid, 2-(1-ethylpropoxy)-
CAS Number:
189955-91-7
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
MDL Number:
MFCD11520462
IUPAC Name:
2-pentan-3-yloxyacetic acid
InChI:
InChI=1S/C7H14O3/c1-3-6(4-2)10-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChI Key:
PRWBVHWCYMYORG-UHFFFAOYSA-N
SMILES:
CCC(OCC(=O)O)CC
Properties
Complexity:
97
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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