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Chemical ID: 6690553
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
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Experimental Annotations
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Descriptor Annotations
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