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Home > Nitro Compounds > 637-57-0
637-57-0 | METHYLTRANS-4-NITROCINNAMATE
CAS No: 637-57-0 Catalog No: AG00F32W MDL No:MFCD00136874
Product Description
Catalog Number:
AG00F32W
Chemical Name:
METHYLTRANS-4-NITROCINNAMATE
CAS Number:
637-57-0
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
MDL Number:
MFCD00136874
IUPAC Name:
methyl (E)-3-(4-nitrophenyl)prop-2-enoate
InChI:
InChI=1S/C10H9NO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-7H,1H3/b7-4+
InChI Key:
NVXKMHUNXMXXDM-QPJJXVBHSA-N
SMILES:
COC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
NSC Number:
1323
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis of tetrahydronaphthalene lignan esters by intramolecular cyclization of ethyl p-azidophenyl-2-phenylalkanoates and evaluation of the growth inhibition of human tumor cell lines. | Journal of medicinal chemistry 20110512 |
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