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137-05-3 | 2-Propenoic acid, 2-cyano-, methyl ester
CAS No: 137-05-3 Catalog No: AG0012OL MDL No:
Product Description
Catalog Number:
AG0012OL
Chemical Name:
2-Propenoic acid, 2-cyano-, methyl ester
CAS Number:
137-05-3
Molecular Formula:
C5H5NO2
Molecular Weight:
111.0987
IUPAC Name:
methyl 2-cyanoprop-2-enoate
InChI:
InChI=1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3
InChI Key:
MWCLLHOVUTZFKS-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)C#N
EC Number:
205-275-2
UNII:
WN7979561R
RTECS Number:
AS7000000
UN Number:
1993
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
111.1g/mol
Monoisotopic Mass:
111.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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| Spectroscopic studies of rhodamine 6G dispersed in polymethylcyanoacrylate. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20050201 |
| Influence of cervical preflaring on determination of apical file size in maxillary molars: SEM analysis. | Brazilian dental journal 20050101 |
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