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Chemical ID: 6516296
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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