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

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

CAS No.:
732291-32-6
Catalog Number:
AG019IO3
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
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Product Description
Catalog Number:
AG019IO3
Chemical Name:
2-cyano-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)-1H-pyrrol-3-yl]prop-2-enoic acid
CAS Number:
732291-32-6
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
MDL Number:
MFCD06654948
IUPAC Name:
2-cyano-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]prop-2-enoic acid
InChI:
InChI=1S/C15H18N2O3/c1-10-6-12(7-13(8-16)15(18)19)11(2)17(10)9-14-4-3-5-20-14/h6-7,14H,3-5,9H2,1-2H3,(H,18,19)
InChI Key:
ZUEPDPWATBVSFH-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1cc(n(c1C)CC1CCCO1)C)C(=O)O
Properties
Complexity:
451  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.132g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.32g/mol
Monoisotopic Mass:
274.132g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.7  
Properties