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Home > Nitro Compounds > 75024-21-4
75024-21-4 | Benzoic acid,3-nitro-2-propoxy-
CAS No: 75024-21-4 Catalog No: AG0057B3 MDL No:
Product Description
Catalog Number:
AG0057B3
Chemical Name:
Benzoic acid,3-nitro-2-propoxy-
CAS Number:
75024-21-4
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
IUPAC Name:
3-nitro-2-propoxybenzoic acid
InChI:
InChI=1S/C10H11NO5/c1-2-6-16-9-7(10(12)13)4-3-5-8(9)11(14)15/h3-5H,2,6H2,1H3,(H,12,13)
InChI Key:
SYFPIQBALPNLAJ-UHFFFAOYSA-N
SMILES:
CCCOc1c(cccc1[N+](=O)[O-])C(=O)O
NSC Number:
37275
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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