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Home > Nitro Compounds > 31707-98-9
31707-98-9 | 3-(4-nitrophenoxy)butan-2-one
CAS No: 31707-98-9 Catalog No: AG00INZP MDL No:MFCD00243592
Product Description
Catalog Number:
AG00INZP
Chemical Name:
3-(4-nitrophenoxy)butan-2-one
CAS Number:
31707-98-9
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD00243592
IUPAC Name:
3-(4-nitrophenoxy)butan-2-one
InChI:
InChI=1S/C10H11NO4/c1-7(12)8(2)15-10-5-3-9(4-6-10)11(13)14/h3-6,8H,1-2H3
InChI Key:
QGSVIIVTOWWDFI-UHFFFAOYSA-N
SMILES:
CC(=O)C(Oc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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