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Home > Other Heterocycles > 185150-00-9
185150-00-9 | 1,4-Benzenediol, 2-bicyclo[2.2.1]hept-1-yl-5-(1,1,3,3-tetramethylbutyl)-
CAS No: 185150-00-9 Catalog No: AG0074JZ MDL No:
Product Description
Catalog Number:
AG0074JZ
Chemical Name:
1,4-Benzenediol, 2-bicyclo[2.2.1]hept-1-yl-5-(1,1,3,3-tetramethylbutyl)-
CAS Number:
185150-00-9
Molecular Formula:
C21H32O2
Molecular Weight:
316.4776
IUPAC Name:
2-(1-bicyclo[2.2.1]heptanyl)-5-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
InChI:
InChI=1S/C21H32O2/c1-19(2,3)13-20(4,5)15-10-18(23)16(11-17(15)22)21-8-6-14(12-21)7-9-21/h10-11,14,22-23H,6-9,12-13H2,1-5H3
InChI Key:
GQPPMGQNLXOUOF-UHFFFAOYSA-N
SMILES:
Oc1cc(c(cc1C(CC(C)(C)C)(C)C)O)C12CCC(C2)CC1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.24g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.485g/mol
Monoisotopic Mass:
316.24g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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