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Home > Nitro Compounds > 145277-31-2
145277-31-2 | 1,3-Propanediol, 2-nitro-2-undecyl-
CAS No: 145277-31-2 Catalog No: AG001KQZ MDL No:
Product Description
Catalog Number:
AG001KQZ
Chemical Name:
1,3-Propanediol, 2-nitro-2-undecyl-
CAS Number:
145277-31-2
Molecular Formula:
C14H29NO4
Molecular Weight:
275.3844
IUPAC Name:
2-nitro-2-undecylpropane-1,3-diol
InChI:
InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-9-10-11-14(12-16,13-17)15(18)19/h16-17H,2-13H2,1H3
InChI Key:
BHKBLFCZOWRFSW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC([N+](=O)[O-])(CO)CO
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.21g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.389g/mol
Monoisotopic Mass:
275.21g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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