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82060-91-1 | 6-Fluorochroman-8-carbaldehyde
CAS No: 82060-91-1 Catalog No: AG004XI9 MDL No:MFCD08236762
Product Description
Catalog Number:
AG004XI9
Chemical Name:
6-Fluorochroman-8-carbaldehyde
CAS Number:
82060-91-1
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
MDL Number:
MFCD08236762
IUPAC Name:
6-fluoro-3,4-dihydro-2H-chromene-8-carbaldehyde
InChI:
InChI=1S/C10H9FO2/c11-9-4-7-2-1-3-13-10(7)8(5-9)6-12/h4-6H,1-3H2
InChI Key:
RSVLOWLCSDVHKN-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)cc2c1OCCC2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.178g/mol
Monoisotopic Mass:
180.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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