Chemical ID: 5251150

CC1(CCC=C1CC(=O)O)c2ccccc2
Chemical ID:
5251150
Name [?]:
2-(5-methyl-5-phenyl-1-cyclopentenyl)acetic acid
SMILES [?]:
CC1(CCC=C1CC(=O)O)c2ccccc2
InChi [?]:
InChI=1/C14H16O2/c1-14(11-6-3-2-4-7-11)9-5-8-12(14)10-13(15)16/h2-4,6-8H,5,9-10H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,4,12,16,5,3,7,11,6,8,2,9,10/E:(3,4)(6,7)(15,16)/rA:16cCCCCCCCCOOCCCCCC/rB:s1;s2;s3;s4;s2d5;s6;s7;d8;s8;s2;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.1244
Area:370.893
Solvation:-2.14794
Coulombic:-28.2901
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:216.276
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.58
LogP (Chemaxon):3.02

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Descriptor Annotations

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