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117311-68-9 | 11-Oxabicyclo[8.1.0]undec-4-ene-4-carboxylic acid, 10-(hydroxymethyl)-7-(1-methylethenyl)-, (1R,4Z,7R,10S)- (9CI)
CAS No: 117311-68-9 Catalog No: AG000E4J MDL No:
Product Description
Catalog Number:
AG000E4J
Chemical Name:
11-Oxabicyclo[8.1.0]undec-4-ene-4-carboxylic acid, 10-(hydroxymethyl)-7-(1-methylethenyl)-, (1R,4Z,7R,10S)- (9CI)
CAS Number:
117311-68-9
Molecular Formula:
C15H22O4
Molecular Weight:
266.3328
IUPAC Name:
10-(hydroxymethyl)-7-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undec-4-ene-4-carboxylic acid
InChI:
InChI=1S/C15H22O4/c1-10(2)11-3-4-12(14(17)18)5-6-13-15(9-16,19-13)8-7-11/h4,11,13,16H,1,3,5-9H2,2H3,(H,17,18)
InChI Key:
CZFFSBYSVCMASS-UHFFFAOYSA-N
SMILES:
OC[C@]12CC[C@H](C/C=C(/CC[C@H]2O1)\C(=O)O)C(=C)C
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.337g/mol
Monoisotopic Mass:
266.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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