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Nonanoic acid | SBID = 880 | Compound |
Custom Molecule
Structure
Molecular Properties
Interactions: |
1
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PubChem TPSA/Å2: |
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Ertl TPSA/Å2: |
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Hydrophilicity (PubChem XLogP): |
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Hydrophilicity (Cheng XLogP3): |
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Charge: |
0.0 |
Number of H-Bond Donors: |
1.0 |
Number of H-Bond Acceptors: |
2.0 |
Number of Stereogenic Bonds (E/Z): |
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Number of Stereogenic Atoms (R/S): |
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3D Volume/Å3: |
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Sum Formula: |
C9H18O2 |
M / g/mol: |
158.23802 |
Complexity: |
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Number of Conformers: |
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Identifiers
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Tags:
aliphatic
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Name:
Nonanoic acid
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Preferred Abbreviation:
Nonanoic acid
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IUPAC Name:
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CAS:
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CID:
-273
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InChiKey:
FBUKVWPVBMHYJY-UHFFFAOYSA-N
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InChi:
InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
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CanoSmiles:
CCCCCCCCC(=O)O
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IsoSmiles:
CCCCCCCCC(=O)O