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Chemical ID: 5644692
Chemical ID:
5644692
Name [?]:
acenaphthene-5-carboxylic acid
SMILES [?]:
c1cc2c3c(ccc(c3c1)C(=O)O)CC2
InChi [?]:
InChI=1/C13H10O2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,10,15,14,6,7,3,5,9,8,4,11,12,13/E:(14,15)/rA:15nCCCCCCCCCCCOOCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s8;d11;s11;s5;s3s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.30576 |
Area: | 348.651 |
Solvation: | -1.41051 |
Coulombic: | -29.3569 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 198.217 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.23 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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