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Home > Nitro Compounds > 14601-82-2
14601-82-2 | 4,4-bis(4-hydroxy-3-nitrophenyl)pentanoic acid
CAS No: 14601-82-2 Catalog No: AG00IYUX MDL No:MFCD00024248
Product Description
Catalog Number:
AG00IYUX
Chemical Name:
4,4-bis(4-hydroxy-3-nitrophenyl)pentanoic acid
CAS Number:
14601-82-2
Molecular Formula:
C17H16N2O8
Molecular Weight:
376.3175
MDL Number:
MFCD00024248
IUPAC Name:
4,4-bis(4-hydroxy-3-nitrophenyl)pentanoic acid
InChI:
InChI=1S/C17H16N2O8/c1-17(7-6-16(22)23,10-2-4-14(20)12(8-10)18(24)25)11-3-5-15(21)13(9-11)19(26)27/h2-5,8-9,20-21H,6-7H2,1H3,(H,22,23)
InChI Key:
VGRYMKZWQBZCPX-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(c1ccc(c(c1)[N+](=O)[O-])O)(c1ccc(c(c1)[N+](=O)[O-])O)C
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.091g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
376.321g/mol
Monoisotopic Mass:
376.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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