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146031-94-9 | Benzeneacetic acid, 3-(1-methylethoxy)-
CAS No: 146031-94-9 Catalog No: AG001DMG MDL No:MFCD08694358
Product Description
Catalog Number:
AG001DMG
Chemical Name:
Benzeneacetic acid, 3-(1-methylethoxy)-
CAS Number:
146031-94-9
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
MDL Number:
MFCD08694358
IUPAC Name:
2-(3-propan-2-yloxyphenyl)acetic acid
InChI:
InChI=1S/C11H14O3/c1-8(2)14-10-5-3-4-9(6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChI Key:
ZRQHMGUMVCESKV-UHFFFAOYSA-N
SMILES:
CC(Oc1cccc(c1)CC(=O)O)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:
2.3
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