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25013-16-5 | Phenol, (1,1-dimethylethyl)-4-methoxy-
CAS No: 25013-16-5 Catalog No: AG002Q6P MDL No:MFCD01779059
Product Description
Catalog Number:
AG002Q6P
Chemical Name:
Phenol, (1,1-dimethylethyl)-4-methoxy-
CAS Number:
25013-16-5
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
MDL Number:
MFCD01779059
IUPAC Name:
2-tert-butyl-4-methoxyphenol
InChI:
InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
InChI Key:
MRBKEAMVRSLQPH-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(C)(C)C)O
EC Number:
204-442-7
UNII:
62RAC24292
FEMA Number:
2183
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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