Home Other Building Blocks 1H-Pyrrole-1-butanoic acid, methyl ester

1H-Pyrrole-1-butanoic acid, methyl ester

CAS No.:
204767-29-3
Catalog Number:
AG0029OQ
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG0029OQ
Chemical Name:
1H-Pyrrole-1-butanoic acid, methyl ester
CAS Number:
204767-29-3
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD22741182
IUPAC Name:
methyl 4-pyrrol-1-ylbutanoate
InChI:
InChI=1S/C9H13NO2/c1-12-9(11)5-4-8-10-6-2-3-7-10/h2-3,6-7H,4-5,8H2,1H3
InChI Key:
XXCAXYPWMFRHRP-UHFFFAOYSA-N
SMILES:
COC(=O)CCCn1cccc1
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties