Home Other Building Blocks 3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid

3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid

CAS No.:
851175-84-3
Catalog Number:
AG019NSL
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
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Product Description
Catalog Number:
AG019NSL
Chemical Name:
3-(2,5-dimethyl-1-propyl-1H-pyrrol-3-yl)prop-2-enoic acid
CAS Number:
851175-84-3
Molecular Formula:
C12H17NO2
Molecular Weight:
207.2689
MDL Number:
MFCD06373456
IUPAC Name:
3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C12H17NO2/c1-4-7-13-9(2)8-11(10(13)3)5-6-12(14)15/h5-6,8H,4,7H2,1-3H3,(H,14,15)
InChI Key:
RVUQJFGITSAJDF-UHFFFAOYSA-N
SMILES:
CCCn1c(C)cc(c1C)C=CC(=O)O
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.273g/mol
Monoisotopic Mass:
207.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.2  
Properties