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Home > Nitro Compounds > 869472-63-9
869472-63-9 | (2E)-3-(6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid
CAS No: 869472-63-9 Catalog No: AG019OO1 MDL No:MFCD07345660
Product Description
Catalog Number:
AG019OO1
Chemical Name:
(2E)-3-(6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)prop-2-enoic acid
CAS Number:
869472-63-9
Molecular Formula:
C11H9NO6
Molecular Weight:
251.1923
MDL Number:
MFCD07345660
IUPAC Name:
3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoic acid
InChI:
InChI=1S/C11H9NO6/c13-10(14)2-1-7-3-9(12(15)16)4-8-5-17-6-18-11(7)8/h1-4H,5-6H2,(H,13,14)
InChI Key:
MCPJKEKUWWGPCL-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1cc(cc2c1OCOC2)[N+](=O)[O-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.194g/mol
Monoisotopic Mass:
251.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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