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Chemical ID: 6047771
Chemical ID:
6047771
Name [?]:
2-amino-2-(3-bicyclo[2.2.1]hept-5-enyl)acetic acid
SMILES [?]:
C1C2CC(C1C=C2)C(C(=O)O)N
InChi [?]:
InChI=1/C9H13NO2/c10-8(9(11)12)7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4,10H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:7,6,1,3,2,5,4,8,9,12,10,11/E:(11,12)/rA:12cCCCCCCCCCOON/rB:s1;s2;s3;s1s4;s5;s2d6;s4;s8;d9;s9;s8;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 6.34663 |
Area: | 314.103 |
Solvation: | -1.50594 |
Coulombic: | -40.5856 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 167.205 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -1.22 |
LogP (Chemaxon): | -1.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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