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70434-30-9 | Cyclohexanone, 3-[4-(1,1-dimethylheptyl)-2-hydroxyphenyl]-
CAS No: 70434-30-9 Catalog No: AG005IWS MDL No:
Product Description
Catalog Number:
AG005IWS
Chemical Name:
Cyclohexanone, 3-[4-(1,1-dimethylheptyl)-2-hydroxyphenyl]-
CAS Number:
70434-30-9
Molecular Formula:
C21H32O2
Molecular Weight:
316.4776
IUPAC Name:
3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-one
InChI:
InChI=1S/C21H32O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,23H,4-10,13-14H2,1-3H3
InChI Key:
OXIROJJENLMQSQ-UHFFFAOYSA-N
SMILES:
CCCCCCC(c1ccc(c(c1)O)C1CCCC(=O)C1)(C)C
Properties
Complexity:
374
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:
1
Isotope Atom Count:
0
Molecular Weight:
316.485g/mol
Monoisotopic Mass:
316.24g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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