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234-15-1 | Naphtho[1,2-d]-1,3-dioxole (8CI,9CI)
CAS No: 234-15-1 Catalog No: AG002N3F MDL No:
Product Description
Catalog Number:
AG002N3F
Chemical Name:
Naphtho[1,2-d]-1,3-dioxole (8CI,9CI)
CAS Number:
234-15-1
Molecular Formula:
C11H8O2
Molecular Weight:
172.1800
IUPAC Name:
benzo[g][1,3]benzodioxole
InChI:
InChI=1S/C11H8O2/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10/h1-6H,7H2
InChI Key:
PDBLJVROGRYXEU-UHFFFAOYSA-N
SMILES:
C1Oc2c(O1)c1ccccc1cc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.052g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.183g/mol
Monoisotopic Mass:
172.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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