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174794-16-2 | Benzenemethanol, 3-nitro-, 1-propanoate
CAS No: 174794-16-2 Catalog No: AG001ZXX MDL No:
Product Description
Catalog Number:
AG001ZXX
Chemical Name:
Benzenemethanol, 3-nitro-, 1-propanoate
CAS Number:
174794-16-2
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
(3-nitrophenyl)methyl propanoate
InChI:
InChI=1S/C10H11NO4/c1-2-10(12)15-7-8-4-3-5-9(6-8)11(13)14/h3-6H,2,7H2,1H3
InChI Key:
WMHOULGTYXECSC-UHFFFAOYSA-N
SMILES:
CCC(=O)OCc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
236
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:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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