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Chemical ID: 6530049
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
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Experimental Annotations
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Descriptor Annotations
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