Chemical ID: 5578569

CC(C)C(c1ccccc1)(C(=O)O)C(=O)O
Chemical ID:
5578569
Name [?]:
2-isopropyl-2-phenyl-propanedioic acid
SMILES [?]:
CC(C)C(c1ccccc1)(C(=O)O)C(=O)O
InChi [?]:
InChI=1/C12H14O4/c1-8(2)12(10(13)14,11(15)16)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,9,6,10,2,5,11,14,4,12,13,15,16/E:(1,2)(4,5)(6,7)(10,11)(13,14,15,16)/gE:(1,2)/rA:16nCCCCCCCCCCCOOCOO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s4;d11;s11;s4;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.57411
Area:370.666
Solvation:-2.69254
Coulombic:-54.9512
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:222.237
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.15
LogP (Chemaxon):2.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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