Chemical ID: 6671874

c1ccc(cc1)CC(C(=O)[O-])O
Chemical ID:
6671874
Name [?]:
2-hydroxy-3-phenyl-propanoate
SMILES [?]:
c1ccc(cc1)CC(C(=O)[O-])O
InChi [?]:
InChI=1/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,4,8,9,12,10,11/E:(2,3)(4,5)(11,12)/rA:12cCCCCCCCCCOO-O/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s8;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9O3-
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:-34.6998
Area:331.337
Solvation:-42.9832
Coulombic:-19.5636
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.166
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.37
LogP (Chemaxon):1.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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