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Home > Other Heterocycles > 87819-14-5
87819-14-5 | 2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-6-yl)oxymethyl]benzoic acid
CAS No: 87819-14-5 Catalog No: AG004HEL MDL No:
Product Description
Catalog Number:
AG004HEL
Chemical Name:
2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]hept-6-yl)oxymethyl]benzoic acid
CAS Number:
87819-14-5
Molecular Formula:
C18H24O4
Molecular Weight:
304.3808
IUPAC Name:
2-[(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)oxymethyl]benzoic acid
InChI:
InChI=1S/C18H24O4/c1-12(2)18-9-8-17(3,22-18)15(10-18)21-11-13-6-4-5-7-14(13)16(19)20/h4-7,12,15H,8-11H2,1-3H3,(H,19,20)
InChI Key:
MQEBGNOWEDEEHZ-UHFFFAOYSA-N
SMILES:
CC(C12CCC(O2)(C(C1)OCc1ccccc1C(=O)O)C)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.167g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.386g/mol
Monoisotopic Mass:
304.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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