Chemical ID: 5789714

c1cc2c(cc1[N+](=O)[O-])C(=O)CCO2
Chemical ID:
5789714
Name [?]:
6-nitrochroman-4-one
SMILES [?]:
c1cc2c(cc1[N+](=O)[O-])C(=O)CCO2
InChi [?]:
InChI=1/C9H7NO4/c11-8-3-4-14-9-2-1-6(10(12)13)5-7(8)9/h1-2,5H,3-4H2
InChi Info:
AuxInfo=1/0/N:1,2,12,13,5,6,4,10,3,7,11,8,9,14/E:(12,13)/CRV:10.5/rA:14nCCCCCCN+OO-COCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s10;s12;s3s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7NO4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:0.624554
Area:343.452
Solvation:-7.96175
Coulombic:-24.8843
Bond Count [?]
All:15
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:193.156
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.17
LogP (Chemaxon):0.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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