Chemical ID: 4676294

COC(=O)Cc1ccccc1
Chemical ID:
4676294
Name [?]:
methyl 2-phenylacetate
SMILES [?]:
COC(=O)Cc1ccccc1
InChi [?]:
InChI=1/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,7,11,5,6,3,4,2/E:(3,4)(5,6)/rA:11nCOCOCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.91389
Area:318.734
Solvation:-2.05445
Coulombic:-19.2691
Bond Count [?]
All:11
Single:7
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:150.174
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.77
LogP (Chemaxon):1.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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