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1798-04-5 | Acetic acid, 2-[4-(1,1-dimethylethyl)phenoxy]-
CAS No: 1798-04-5 Catalog No: AG00279H MDL No:MFCD00021758
Product Description
Catalog Number:
AG00279H
Chemical Name:
Acetic acid, 2-[4-(1,1-dimethylethyl)phenoxy]-
CAS Number:
1798-04-5
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
MDL Number:
MFCD00021758
IUPAC Name:
2-(4-tert-butylphenoxy)acetic acid
InChI:
InChI=1S/C12H16O3/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChI Key:
FBIGAJNVRFKBJL-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1)C(C)(C)C
NSC Number:
8481
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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