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1018-47-9 | 1H,3H-Naphtho[1,8-cd]pyran-1-one, 6-(chloromethyl)-
CAS No: 1018-47-9 Catalog No: AG0005LO MDL No:MFCD00683109
Product Description
Catalog Number:
AG0005LO
Chemical Name:
1H,3H-Naphtho[1,8-cd]pyran-1-one, 6-(chloromethyl)-
CAS Number:
1018-47-9
Molecular Formula:
C13H9ClO2
Molecular Weight:
232.6624
MDL Number:
MFCD00683109
IUPAC Name:
8-(chloromethyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
InChI:
InChI=1S/C13H9ClO2/c14-6-8-4-5-9-7-16-13(15)11-3-1-2-10(8)12(9)11/h1-5H,6-7H2
InChI Key:
RUKIAFYRUHSJCQ-UHFFFAOYSA-N
SMILES:
ClCc1ccc2c3c1cccc3C(=O)OC2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.663g/mol
Monoisotopic Mass:
232.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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