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79955-60-5 | 1,3-Benzenediol, 2-(1,1-dimethylethyl)-5-methyl-
CAS No: 79955-60-5 Catalog No: AG004Z8I MDL No:
Product Description
Catalog Number:
AG004Z8I
Chemical Name:
1,3-Benzenediol, 2-(1,1-dimethylethyl)-5-methyl-
CAS Number:
79955-60-5
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
2-tert-butyl-5-methylbenzene-1,3-diol
InChI:
InChI=1S/C11H16O2/c1-7-5-8(12)10(9(13)6-7)11(2,3)4/h5-6,12-13H,1-4H3
InChI Key:
HCTNLMOMUWQHQW-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(c1)O)C(C)(C)C
Properties
Complexity:
159
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:
2
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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