Chemical ID: 6516296

COC(=O)C=Cc1ccccc1
Chemical ID:
6516296
Name [?]:
methyl 3-phenylprop-2-enoate
SMILES [?]:
COC(=O)C=Cc1ccccc1
InChi [?]:
InChI=1/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,8,12,6,5,7,3,4,2/E:(3,4)(5,6)/rA:12nCOCOCCCCCCCC/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.25862
Area:325.05
Solvation:-1.86762
Coulombic:-20.8287
Bond Count [?]
All:12
Single:7
Double:5
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:162.185
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.23
LogP (Chemaxon):2.18

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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