Chemical ID: 6529961

c1ccc(cc1)c2ccc(c(c2)C(=O)O)C(=O)O
Chemical ID:
6529961
Name [?]:
4-phenylbenzene-1,2-dicarboxylic acid
SMILES [?]:
c1ccc(cc1)c2ccc(c(c2)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C14H10O4/c15-13(16)11-7-6-10(8-12(11)14(17)18)9-4-2-1-3-5-9/h1-8H,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,9,12,4,7,10,11,16,13,17,18,14,15/E:(2,3)(4,5)(15,16)(17,18)/rA:18nCCCCCCCCCCCCCOOCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;d13;s13;s10;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.3422
Area:415.773
Solvation:-3.05213
Coulombic:-55.7413
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:242.227
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.19
LogP (Chemaxon):2.76

Name Annotations

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Descriptor Annotations

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