Chemical ID: 4985912

CCC1Cc2ccc(cc2C1=O)O
Chemical ID:
4985912
Name [?]:
2-ethyl-6-hydroxy-indan-1-one
SMILES [?]:
CCC1Cc2ccc(cc2C1=O)O
InChi [?]:
InChI=1/C11H12O2/c1-2-7-5-8-3-4-9(12)6-10(8)11(7)13/h3-4,6-7,12H,2,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,7,4,9,3,5,8,10,11,13,12/rA:13cCCCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s3s10;d11;s8;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.01314
Area:338.914
Solvation:-2.45971
Coulombic:-24.4336
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:176.212
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.99
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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