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Chemical ID: 4910352
Chemical ID:
4910352
Name [?]:
2-(9H-fluoren-2-yl)propanoic acid
SMILES [?]:
CC(c1ccc-2c(c1)Cc3c2cccc3)C(=O)O
InChi [?]:
InChI=1/C16H14O2/c1-10(16(17)18)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15/h2-8,10H,9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,4,5,8,9,2,3,10,7,11,6,16,17,18/E:(17,18)/rA:18cCCCCCCCCCCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6s10;d11;s12;d13;d10s14;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.29857 |
Area: | 417.057 |
Solvation: | -2.12787 |
Coulombic: | -28.6526 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 238.281 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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