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Home > Nitro Compounds > 58345-07-6
58345-07-6 | 1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol
CAS No: 58345-07-6 Catalog No: AG00F1OG MDL No:
Product Description
Catalog Number:
AG00F1OG
Chemical Name:
1-(4,5-Methylenedioxy-2-nitrophenyl)-4,4-dimethyl-1-penten-3-ol
CAS Number:
58345-07-6
IUPAC Name:
(E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-ol
InChI:
InChI=1S/C14H17NO5/c1-14(2,3)13(16)5-4-9-6-11-12(20-8-19-11)7-10(9)15(17)18/h4-7,13,16H,8H2,1-3H3/b5-4+
InChI Key:
DJFKZMWDVNBWLK-SNAWJCMRSA-N
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
279.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.292g/mol
Monoisotopic Mass:
279.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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