Chemical ID: 6677776

CC(C(c1ccccc1)O)[N+](=O)[O-]
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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Descriptor Annotations

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