Chemical ID: 5003192

CC1=CC(=O)OC1CC(=O)O
Chemical ID:
5003192
Name [?]:
2-(3-methyl-5-oxo-2H-furan-2-yl)acetic acid
SMILES [?]:
CC1=CC(=O)OC1CC(=O)O
InChi [?]:
InChI=1/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2,5H,3H2,1H3,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,3,8,2,7,9,4,10,11,5,6/E:(8,9)/rA:11cCCCCOOCCCOO/rB:s1;d2;s3;d4;s4;s2s6;s7;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8O4
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:3.89656
Area:313.325
Solvation:-3.93656
Coulombic:-42.6534
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:156.136
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.2
LogP (Chemaxon):0.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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