Chemical ID: 5163368

CC1(CCc2ccccc2C1=O)CC(=O)O
Chemical ID:
5163368
Name [?]:
2-(2-methyl-1-oxo-tetralin-2-yl)acetic acid
SMILES [?]:
CC1(CCc2ccccc2C1=O)CC(=O)O
InChi [?]:
InChI=1/C13H14O3/c1-13(8-11(14)15)7-6-9-4-2-3-5-10(9)12(13)16/h2-5H,6-8H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,4,3,13,5,10,14,11,2,15,16,12/E:(14,15)/rA:16cCCCCCCCCCCCOCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;d11;s2;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:6.12794
Area:368.208
Solvation:-3.07727
Coulombic:-34.0409
Bond Count [?]
All:17
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:218.248
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.72
LogP (Chemaxon):2.34

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Descriptor Annotations

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