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Chemical ID: 3964534
Chemical ID:
3964534
Name [?]:
2-hydroxy-2-phenyl-acetic acid
SMILES [?]:
c1ccc(cc1)C(C(=O)O)O
InChi [?]:
InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,8,11,9,10/E:(2,3)(4,5)(10,11)/rA:11cCCCCCCCCOOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s7;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8O3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.14015 |
Area: | 307.091 |
Solvation: | -2.53711 |
Coulombic: | -45.9939 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 152.147 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.46 |
LogP (Chemaxon): | 1.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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