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24700-85-4 | 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,2-dimethyl-4-(1-methylethyl)-7-octyl-
CAS No: 24700-85-4 Catalog No: AG002P3H MDL No:
Product Description
Catalog Number:
AG002P3H
Chemical Name:
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,2-dimethyl-4-(1-methylethyl)-7-octyl-
CAS Number:
24700-85-4
Molecular Formula:
C22H36O2
Molecular Weight:
332.5200
IUPAC Name:
2,2-dimethyl-7-octyl-4-propan-2-yl-3,4-dihydrochromen-6-ol
InChI:
InChI=1S/C22H36O2/c1-6-7-8-9-10-11-12-17-13-21-18(14-20(17)23)19(16(2)3)15-22(4,5)24-21/h13-14,16,19,23H,6-12,15H2,1-5H3
InChI Key:
JYZPSBQSMQQYOB-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cc2OC(C)(C)CC(c2cc1O)C(C)C
EC Number:
246-423-6
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.272g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.528g/mol
Monoisotopic Mass:
332.272g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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