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124957-63-7 | 2-Propenoic acid, 2-(azidomethyl)-3-phenyl-, methyl ester, (2E)-
CAS No: 124957-63-7 Catalog No: AG000MXB MDL No:
Product Description
Catalog Number:
AG000MXB
Chemical Name:
2-Propenoic acid, 2-(azidomethyl)-3-phenyl-, methyl ester, (2E)-
CAS Number:
124957-63-7
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
methyl 2-(azidomethyl)-3-phenylprop-2-enoate
InChI:
InChI=1S/C11H11N3O2/c1-16-11(15)10(8-13-14-12)7-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChI Key:
ZWGNAOMCZZYZQE-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C/c1ccccc1)/CN=[N+]=[N-]
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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