Chemical ID: 6690553

c1ccc(cc1)C(CC(=O)O)O
Chemical ID:
6690553
Name [?]:
3-hydroxy-3-phenyl-propanoic acid
SMILES [?]:
c1ccc(cc1)C(CC(=O)O)O
InChi [?]:
InChI=1/C9H10O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,4,7,9,12,10,11/E:(2,3)(4,5)(11,12)/rA:12cCCCCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s7;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:4.92906
Area:333.431
Solvation:-3.40671
Coulombic:-42.8947
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:166.174
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.85
LogP (Chemaxon):1.3

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue