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88907-96-4 | 3-Buten-2-ol, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-, acetate
CAS No: 88907-96-4 Catalog No: AG0048W9 MDL No:
Product Description
Catalog Number:
AG0048W9
Chemical Name:
3-Buten-2-ol, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-, acetate
CAS Number:
88907-96-4
Molecular Formula:
C15H26O4
Molecular Weight:
270.3645
IUPAC Name:
acetic acid;4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-ol
InChI:
InChI=1S/C13H22O2.C2H4O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13;1-2(3)4/h6,9-10,14H,5,7-8H2,1-4H3;1H3,(H,3,4)
InChI Key:
XCLFJBGIWFVCOW-UHFFFAOYSA-N
SMILES:
CC(C=CC12OC2(C)CCCC1(C)C)O.CC(=O)O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.369g/mol
Monoisotopic Mass:
270.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
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