Chemical ID: 4263221

CCCC(CCC(=O)O)C(=O)C
Chemical ID:
4263221
Name [?]:
4-acetylheptanoic acid
SMILES [?]:
CCCC(CCC(=O)O)C(=O)C
InChi [?]:
InChI=1/C9H16O3/c1-3-4-8(7(2)10)5-6-9(11)12/h8H,3-6H2,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,2,3,5,6,10,4,7,11,8,9/E:(11,12)/rA:12cCCCCCCCOOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s4;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:6.1394
Area:361.123
Solvation:-2.88866
Coulombic:-32.501
Bond Count [?]
All:11
Single:9
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:172.222
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.34
LogP (Chemaxon):1.92

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Descriptor Annotations

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