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1798-03-4 | Acetic acid, 2-(2-ethylphenoxy)-
CAS No: 1798-03-4 Catalog No: AG00279I MDL No:MFCD03152495
Product Description
Catalog Number:
AG00279I
Chemical Name:
Acetic acid, 2-(2-ethylphenoxy)-
CAS Number:
1798-03-4
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD03152495
IUPAC Name:
2-(2-ethylphenoxy)acetic acid
InChI:
InChI=1S/C10H12O3/c1-2-8-5-3-4-6-9(8)13-7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key:
DIJUOSYHQYABQM-UHFFFAOYSA-N
SMILES:
CCc1ccccc1OCC(=O)O
NSC Number:
407962
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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