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Home > Nitro Compounds > 66757-85-5
66757-85-5 | Benzene, 1-nitro-4-(3,3,3-trimethoxypropyl)-
CAS No: 66757-85-5 Catalog No: AG00H6E3 MDL No:
Product Description
Catalog Number:
AG00H6E3
Chemical Name:
Benzene, 1-nitro-4-(3,3,3-trimethoxypropyl)-
CAS Number:
66757-85-5
Molecular Formula:
C12H17NO5
Molecular Weight:
255.2671
IUPAC Name:
1-nitro-4-(3,3,3-trimethoxypropyl)benzene
InChI:
InChI=1S/C12H17NO5/c1-16-12(17-2,18-3)9-8-10-4-6-11(7-5-10)13(14)15/h4-7H,8-9H2,1-3H3
InChI Key:
PFKOTCQYPQPSIH-UHFFFAOYSA-N
SMILES:
COC(CCc1ccc(cc1)[N+](=O)[O-])(OC)OC
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.27g/mol
Monoisotopic Mass:
255.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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