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1878-52-0 | Acetic acid, 2-[3-(1-methylethyl)phenoxy]-
CAS No: 1878-52-0 Catalog No: AG002GI5 MDL No:MFCD08444524
Product Description
Catalog Number:
AG002GI5
Chemical Name:
Acetic acid, 2-[3-(1-methylethyl)phenoxy]-
CAS Number:
1878-52-0
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD08444524
IUPAC Name:
2-(3-propan-2-ylphenoxy)acetic acid
InChI:
InChI=1S/C11H14O3/c1-8(2)9-4-3-5-10(6-9)14-7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChI Key:
WXLGLXXOGLYPMX-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cccc(c1)C(C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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