Chemical ID: 6687351

c1ccc(cc1)COC(=O)CC(=O)O
Chemical ID:
6687351
Name [?]:
3-benzyloxy-3-oxo-propanoic acid
SMILES [?]:
c1ccc(cc1)COC(=O)CC(=O)O
InChi [?]:
InChI=1/C10H10O4/c11-9(12)6-10(13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,7,4,12,9,13,14,10,8/E:(2,3)(4,5)(11,12)/rA:14nCCCCCCCOCOCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.76259
Area:376.642
Solvation:-3.65347
Coulombic:-43.4194
Bond Count [?]
All:14
Single:9
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.184
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.73
LogP (Chemaxon):1.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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