Home Other Building Blocks 2-cyano-3-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid

2-cyano-3-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid

CAS No.:
743440-33-7
Catalog Number:
AG019J99
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
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Product Description
Catalog Number:
AG019J99
Chemical Name:
2-cyano-3-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid
CAS Number:
743440-33-7
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
MDL Number:
MFCD07287072
IUPAC Name:
2-cyano-3-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C14H18N2O3/c1-9-5-12(6-13(7-15)14(17)18)11(3)16(9)10(2)8-19-4/h5-6,10H,8H2,1-4H3,(H,17,18)
InChI Key:
ADCFQGFVVSLIGN-UHFFFAOYSA-N
SMILES:
COCC(n1c(C)cc(c1C)C=C(C(=O)O)C#N)C
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.132g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.309g/mol
Monoisotopic Mass:
262.132g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.5  
Properties