Chemical ID: 6530049

c1ccc2c(c1)cc(c3c2cccc3)C=O
Chemical ID:
6530049
Name [?]:
phenanthrene-9-carbaldehyde
SMILES [?]:
c1ccc2c(c1)cc(c3c2cccc3)C=O
InChi [?]:
InChI=1/C15H10O/c16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,13,12,6,3,14,11,7,15,5,8,4,9,10,16/rA:16nCCCCCCCCCCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s8;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.12683
Area:372.781
Solvation:-2.1927
Coulombic:-9.99388
Bond Count [?]
All:18
Single:10
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:206.239
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.25
LogP (Chemaxon):3.73

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue