Chemical ID: 4148417

c1ccc(cc1)C=C2c3ccccc3C(=O)O2
Chemical ID:
4148417
Name [?]:
3-benzylideneisobenzofuran-1-one
SMILES [?]:
c1ccc(cc1)C=C2c3ccccc3C(=O)O2
InChi [?]:
InChI=1/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,5,10,13,7,4,9,14,8,15,16,17/E:(2,3)(6,7)/rA:17nCCCCCCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s14;d15;s8s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.86591
Area:386.361
Solvation:-1.79312
Coulombic:-22.3245
Bond Count [?]
All:19
Single:11
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:222.239
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.04
LogP (Chemaxon):2.71

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Descriptor Annotations

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