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Home > Other Heterocycles > 99765-53-4
99765-53-4 | [2-({[1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]hept-2-yl]oxy}methyl)phenyl]methanol
CAS No: 99765-53-4 Catalog No: AG003X0V MDL No:
Product Description
Catalog Number:
AG003X0V
Chemical Name:
[2-({[1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]hept-2-yl]oxy}methyl)phenyl]methanol
CAS Number:
99765-53-4
Molecular Formula:
C18H26O3
Molecular Weight:
290.3972
IUPAC Name:
[2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]phenyl]methanol
InChI:
InChI=1S/C18H26O3/c1-13(2)18-9-8-17(3,21-18)16(10-18)20-12-15-7-5-4-6-14(15)11-19/h4-7,13,16,19H,8-12H2,1-3H3
InChI Key:
HFGXZRUMXKJEIR-UHFFFAOYSA-N
SMILES:
OCc1ccccc1COC1CC2(OC1(C)CC2)C(C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.188g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.403g/mol
Monoisotopic Mass:
290.188g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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