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102131-24-8 | Acetic acid, 2-[4-methyl-2-(2-propen-1-yl)phenoxy]-
CAS No: 102131-24-8 Catalog No: AG0006PU MDL No:
Product Description
Catalog Number:
AG0006PU
Chemical Name:
Acetic acid, 2-[4-methyl-2-(2-propen-1-yl)phenoxy]-
CAS Number:
102131-24-8
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
2-(4-methyl-2-prop-2-enylphenoxy)acetic acid
InChI:
InChI=1S/C12H14O3/c1-3-4-10-7-9(2)5-6-11(10)15-8-12(13)14/h3,5-7H,1,4,8H2,2H3,(H,13,14)
InChI Key:
MTXSOGJRYIKFTA-UHFFFAOYSA-N
SMILES:
C=CCc1cc(C)ccc1OCC(=O)O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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