Chemical ID: 5570983

CC(C(=O)O)C(c1ccccc1)(c2ccccc2)O
Chemical ID:
5570983
Name [?]:
3-hydroxy-2-methyl-3,3-diphenyl-propanoic acid
SMILES [?]:
CC(C(=O)O)C(c1ccccc1)(c2ccccc2)O
InChi [?]:
InChI=1/C16H16O3/c1-12(15(17)18)16(19,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,19H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,10,16,9,11,15,17,8,12,14,18,2,7,13,3,6,4,5,19/E:(2,3)(4,5,6,7)(8,9,10,11)(13,14)(17,18)/rA:19cCCCOOCCCCCCCCCCCCCO/rB:s1;s2;d3;s3;s2;s6;s7;d8;s9;d10;d7s11;s6;s13;d14;s15;d16;d13s17;s6;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.45624
Area:425.294
Solvation:-3.1761
Coulombic:-46.3459
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:256.296
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.71
LogP (Chemaxon):3.4

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