Chemical ID: 4679222

CC#Cc1ccccc1
Chemical ID:
4679222
Name [?]:
prop-1-ynylbenzene
SMILES [?]:
CC#Cc1ccccc1
InChi [?]:
InChI=1/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,3,5,9,4/E:(4,5)(7,8)/rA:9nCCCCCCCCC/rB:s1;t2;s3;s4;d5;s6;d7;d4s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.61614
Area:294.359
Solvation:-0.74283
Coulombic:-2.41695
Bond Count [?]
All:9
Single:5
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:116.16
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.12
LogP (Chemaxon):2.94

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue