Chemical ID: 4733900

COC(=O)c1ccc(cc1)C(=O)O
Chemical ID:
4733900
Name [?]:
4-methoxycarbonylbenzoic acid
SMILES [?]:
COC(=O)c1ccc(cc1)C(=O)O
InChi [?]:
InChI=1/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,7,9,6,10,8,5,11,3,12,13,4,2/E:(2,3)(4,5)(10,11)/rA:13nCOCOCCCCCCCOO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8O4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.44604
Area:350.325
Solvation:-2.3121
Coulombic:-47.8443
Bond Count [?]
All:13
Single:8
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:180.157
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.57
LogP (Chemaxon):1.11

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Descriptor Annotations

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