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Home > Nitro Compounds > 35288-44-9
35288-44-9 | Benzoic acid, 3-nitro-4-propoxy-
CAS No: 35288-44-9 Catalog No: AG00I708 MDL No:MFCD09743985
Product Description
Catalog Number:
AG00I708
Chemical Name:
Benzoic acid, 3-nitro-4-propoxy-
CAS Number:
35288-44-9
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
MDL Number:
MFCD09743985
IUPAC Name:
3-nitro-4-propoxybenzoic acid
InChI:
InChI=1S/C10H11NO5/c1-2-5-16-9-4-3-7(10(12)13)6-8(9)11(14)15/h3-4,6H,2,5H2,1H3,(H,12,13)
InChI Key:
NKACWRJUOBYVGP-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1[N+](=O)[O-])C(=O)O
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:
2.6
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