Home Carboxys Methyl 3-hydroxy-1h-pyrrole-2-carboxylate

Methyl 3-hydroxy-1h-pyrrole-2-carboxylate

CAS No.:
79068-31-8
Catalog Number:
AG00G70L
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
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Product Description
Catalog Number:
AG00G70L
Chemical Name:
Methyl 3-hydroxy-1h-pyrrole-2-carboxylate
CAS Number:
79068-31-8
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD11975599
IUPAC Name:
methyl 3-hydroxy-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C6H7NO3/c1-10-6(9)5-4(8)2-3-7-5/h2-3,7-8H,1H3
InChI Key:
WDPQPKMCONIREA-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]ccc1O
Properties
Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties