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Chemical ID: 6677776
Chemical ID:
6677776
Name [?]:
2-nitro-1-phenyl-propan-1-ol
SMILES [?]:
CC(C(c1ccccc1)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C9H11NO3/c1-7(10(12)13)9(11)8-5-3-2-4-6-8/h2-7,9,11H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,5,9,2,4,3,11,10,12,13/E:(3,4)(5,6)(12,13)/CRV:10.5/rA:13cCCCCCCCCCON+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s2;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11NO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 0.255967 |
Area: | 341.665 |
Solvation: | -8.28565 |
Coulombic: | -26.6026 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 181.189 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.69 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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