Chemical ID: 6529614

CCOC(=O)C=Cc1ccccc1
Chemical ID:
6529614
Name [?]:
ethyl 3-phenylprop-2-enoate
SMILES [?]:
CCOC(=O)C=Cc1ccccc1
InChi [?]:
InChI=1/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,12,9,13,7,6,8,4,5,3/E:(4,5)(6,7)/rA:13nCCOCOCCCCCCCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.98786
Area:350.846
Solvation:-1.78329
Coulombic:-21.1369
Bond Count [?]
All:13
Single:8
Double:5
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:176.212
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.65
LogP (Chemaxon):2.53

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Descriptor Annotations

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