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Chemical ID: 4259875
Chemical ID:
4259875
Name [?]:
1-phenylcyclopropane-1-carboxylic acid
SMILES [?]:
c1ccc(cc1)C2(CC2)C(=O)O
InChi [?]:
InChI=1/C10H10O2/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,9,4,10,7,11,12/E:(2,3)(4,5)(6,7)(11,12)/rA:12nCCCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s7s8;s7;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.55065 |
Area: | 321.181 |
Solvation: | -1.47888 |
Coulombic: | -28.773 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 162.185 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.03 |
LogP (Chemaxon): | 2.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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