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13974-74-8 | 2-Propenoic acid, 2-cyano-3-methoxy-, methyl ester
CAS No: 13974-74-8 Catalog No: AG001BMK MDL No:
Product Description
Catalog Number:
AG001BMK
Chemical Name:
2-Propenoic acid, 2-cyano-3-methoxy-, methyl ester
CAS Number:
13974-74-8
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
IUPAC Name:
methyl (E)-2-cyano-3-methoxyprop-2-enoate
InChI:
InChI=1S/C6H7NO3/c1-9-4-5(3-7)6(8)10-2/h4H,1-2H3/b5-4+
InChI Key:
AGNUFSNBWSLFIN-SNAWJCMRSA-N
SMILES:
COC=C(C(=O)OC)C#N
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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