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Home > Nitro Compounds > 89449-79-6
89449-79-6 | Heptanoic acid, 5-hydroxy-4-nitro-, methyl ester
CAS No: 89449-79-6 Catalog No: AG0044EF MDL No:
Product Description
Catalog Number:
AG0044EF
Chemical Name:
Heptanoic acid, 5-hydroxy-4-nitro-, methyl ester
CAS Number:
89449-79-6
Molecular Formula:
C8H15NO5
Molecular Weight:
205.2084
IUPAC Name:
methyl 5-hydroxy-4-nitroheptanoate
InChI:
InChI=1S/C8H15NO5/c1-3-7(10)6(9(12)13)4-5-8(11)14-2/h6-7,10H,3-5H2,1-2H3
InChI Key:
PVIKVPCAACFUCU-UHFFFAOYSA-N
SMILES:
CCC(C([N+](=O)[O-])CCC(=O)OC)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.21g/mol
Monoisotopic Mass:
205.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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