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Chemical ID: 4735257
Chemical ID:
4735257
Name [?]:
1-methoxy-4-phenyl-benzene
SMILES [?]:
COc1ccc(cc1)c2ccccc2
InChi [?]:
InChI=1/C13H12O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,5,7,4,8,9,6,3,2/E:(3,4)(5,6)(7,8)(9,10)/rA:14nCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.84086 |
Area: | 361.416 |
Solvation: | -2.19453 |
Coulombic: | -10.0827 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 184.234 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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