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113602-62-3 | Methyl 3-hydroxy-1-methyl-1H-pyrrole-2-carboxylate
CAS No: 113602-62-3 Catalog No: AG00093U MDL No:MFCD12924083
Product Description
Catalog Number:
AG00093U
Chemical Name:
Methyl 3-hydroxy-1-methyl-1H-pyrrole-2-carboxylate
CAS Number:
113602-62-3
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD12924083
IUPAC Name:
methyl 3-hydroxy-1-methylpyrrole-2-carboxylate
InChI:
InChI=1S/C7H9NO3/c1-8-4-3-5(9)6(8)7(10)11-2/h3-4,9H,1-2H3
InChI Key:
HJHSYAMEFMNNBD-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(O)ccn1C
Properties
Complexity:
160
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:
1
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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