Home Carboxys 1H-Pyrrole-2-carboxylic acid, 4-(hydroxymethyl)-, methyl ester

1H-Pyrrole-2-carboxylic acid, 4-(hydroxymethyl)-, methyl ester

CAS No.:
918827-38-0
Catalog Number:
AG006B7Y
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
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Product Description
Catalog Number:
AG006B7Y
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-(hydroxymethyl)-, methyl ester
CAS Number:
918827-38-0
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD12923896
IUPAC Name:
methyl 4-(hydroxymethyl)-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C7H9NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h2-3,8-9H,4H2,1H3
InChI Key:
BMSHUWXWJIMDAK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c[nH]1)CO
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties