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Chemical ID: 5073025
Chemical ID:
5073025
Name [?]:
2-allyl-4-methyl-pent-4-enoic acid
SMILES [?]:
CC(=C)CC(CC=C)C(=O)O
InChi [?]:
InChI=1/C9H14O2/c1-4-5-8(9(10)11)6-7(2)3/h4,8H,1-2,5-6H2,3H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:8,3,1,7,6,4,2,5,9,10,11/E:(10,11)/rA:11cCCCCCCCCCOO/rB:s1;d2;s2;s4;s5;s6;d7;s5;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.90516 |
Area: | 335.821 |
Solvation: | -1.49037 |
Coulombic: | -29.4984 |
Bond Count [?]
All: | 10 |
Single: | 7 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 154.206 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.07 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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