200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1104461-74-6
1104461-74-6 | methyl (2E)-3-[(E)-4-nitrobenzoyloxy]prop-2-enoate
CAS No: 1104461-74-6 Catalog No: AG00IU30 MDL No:MFCD03001264
Product Description
Catalog Number:
AG00IU30
Chemical Name:
methyl (2E)-3-[(E)-4-nitrobenzoyloxy]prop-2-enoate
CAS Number:
1104461-74-6
Molecular Formula:
C11H9NO6
Molecular Weight:
251.1923
MDL Number:
MFCD03001264
IUPAC Name:
(3-methoxy-3-oxoprop-1-enyl) 4-nitrobenzoate
InChI:
InChI=1S/C11H9NO6/c1-17-10(13)6-7-18-11(14)8-2-4-9(5-3-8)12(15)16/h2-7H,1H3
InChI Key:
LQMGFOZCJPSYBM-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/OC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
351
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:
0
Isotope Atom Count:
0
Molecular Weight:
251.194g/mol
Monoisotopic Mass:
251.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.