Chemical ID: 4260831

COC(=O)c1ccccc1N
Chemical ID:
4260831
Name [?]:
methyl 2-aminobenzoate
SMILES [?]:
COC(=O)c1ccccc1N
InChi [?]:
InChI=1/C8H9NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,9,5,10,3,11,4,2/rA:11nCOCOCCCCCCN/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.16492
Area:307.768
Solvation:-1.52928
Coulombic:-37.3702
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:151.163
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.57
LogP (Chemaxon):1.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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