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72777-88-9 | 7-Oxabicyclo[4.1.0]heptan-3-ol,6-(3-hydroxy-1-buten-1-yl)-1,5,5-trimethyl-
CAS No: 72777-88-9 Catalog No: AG005F10 MDL No:
Product Description
Catalog Number:
AG005F10
Chemical Name:
7-Oxabicyclo[4.1.0]heptan-3-ol,6-(3-hydroxy-1-buten-1-yl)-1,5,5-trimethyl-
CAS Number:
72777-88-9
Molecular Formula:
C13H22O3
Molecular Weight:
226.3120
IUPAC Name:
6-[(E)-3-hydroxybut-1-enyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
InChI:
InChI=1S/C13H22O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,9-10,14-15H,7-8H2,1-4H3/b6-5+
InChI Key:
BVNCCXWAZAZQNM-AATRIKPKSA-N
SMILES:
CC(/C=C/C12OC2(C)CC(CC1(C)C)O)O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
226.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.316g/mol
Monoisotopic Mass:
226.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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