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Home > Other Heterocycles > 95526-21-9
95526-21-9 | 1,3-Dioxolane, 2-[2-(4-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)ethyl]-
CAS No: 95526-21-9 Catalog No: AG006CNG MDL No:
Product Description
Catalog Number:
AG006CNG
Chemical Name:
1,3-Dioxolane, 2-[2-(4-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)ethyl]-
CAS Number:
95526-21-9
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
2-[2-(4-methoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethyl]-1,3-dioxolane
InChI:
InChI=1S/C14H18O3/c1-15-12-4-2-10-8-11(13(10)9-12)3-5-14-16-6-7-17-14/h2,4,9,11,14H,3,5-8H2,1H3
InChI Key:
HXJHACHJHULWHV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(C2)CCC1OCCO1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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