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Home > Nitro Compounds > 89510-13-4
89510-13-4 | 1(2H)-Naphthalenone, 2-(acetyloxy)-3-nitro-2-(2-propenyl)-
CAS No: 89510-13-4 Catalog No: AG00417P MDL No:
Product Description
Catalog Number:
AG00417P
Chemical Name:
1(2H)-Naphthalenone, 2-(acetyloxy)-3-nitro-2-(2-propenyl)-
CAS Number:
89510-13-4
Molecular Formula:
C15H13NO5
Molecular Weight:
287.2674
IUPAC Name:
(3-nitro-1-oxo-2-prop-2-enylnaphthalen-2-yl) acetate
InChI:
InChI=1S/C15H13NO5/c1-3-8-15(21-10(2)17)13(16(19)20)9-11-6-4-5-7-12(11)14(15)18/h3-7,9H,1,8H2,2H3
InChI Key:
IAZCWPVDMKDQHV-UHFFFAOYSA-N
SMILES:
C=CCC1(OC(=O)C)C(=Cc2c(C1=O)cccc2)[N+](=O)[O-]
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.271g/mol
Monoisotopic Mass:
287.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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