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17492-36-3 | Propanoic acid, 2-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester
CAS No: 17492-36-3 Catalog No: AG00202B MDL No:
Product Description
Catalog Number:
AG00202B
Chemical Name:
Propanoic acid, 2-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester
CAS Number:
17492-36-3
Molecular Formula:
C14H18N2O6
Molecular Weight:
310.3025
IUPAC Name:
(2-butan-2-yl-4,6-dinitrophenyl) 2-methylpropanoate
InChI:
InChI=1S/C14H18N2O6/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)22-14(17)8(2)3/h6-9H,5H2,1-4H3
InChI Key:
ITECVYNYQSLERR-UHFFFAOYSA-N
SMILES:
CCC(c1cc(cc(c1OC(=O)C(C)C)[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.306g/mol
Monoisotopic Mass:
310.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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