Chemical ID: 4990547

CCC(C=O)c1ccccc1
Chemical ID:
4990547
Name [?]:
2-phenylbutanal
SMILES [?]:
CCC(C=O)c1ccccc1
InChi [?]:
InChI=1/C10H12O/c1-2-9(8-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,8,10,7,11,4,3,6,5/E:(4,5)(6,7)/rA:11cCCCCOCCCCCC/rB:s1;s2;s3;d4;s3;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:6.10337
Area:323.847
Solvation:-1.9928
Coulombic:-8.84662
Bond Count [?]
All:11
Single:7
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:148.202
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.65
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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