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30651-90-2 | 2-Propenoic acid, 2-cyano-3-hydroxy-, ethyl ester, (2E)-
CAS No: 30651-90-2 Catalog No: AG0030RM MDL No:
Product Description
Catalog Number:
AG0030RM
Chemical Name:
2-Propenoic acid, 2-cyano-3-hydroxy-, ethyl ester, (2E)-
CAS Number:
30651-90-2
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
IUPAC Name:
ethyl 2-cyano-3-hydroxyprop-2-enoate
InChI:
InChI=1S/C6H7NO3/c1-2-10-6(9)5(3-7)4-8/h4,8H,2H2,1H3
InChI Key:
WRSKLGBEIICWNP-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/O)/C#N
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.8
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