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1010-99-7 | 1,2-Benzenediol, 3-(1,1-dimethylethyl)-5-methyl-
CAS No: 1010-99-7 Catalog No: AG0003HF MDL No:
Product Description
Catalog Number:
AG0003HF
Chemical Name:
1,2-Benzenediol, 3-(1,1-dimethylethyl)-5-methyl-
CAS Number:
1010-99-7
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
3-tert-butyl-5-methylbenzene-1,2-diol
InChI:
InChI=1S/C11H16O2/c1-7-5-8(11(2,3)4)10(13)9(12)6-7/h5-6,12-13H,1-4H3
InChI Key:
YKYXORJDSTUCTN-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(c1)C(C)(C)C)O
EC Number:
213-778-3
NSC Number:
178992
Properties
Complexity:
171
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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