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119767-00-9 | 1H-Pyrrole-2-carboxylic acid, 3-furanylmethyl ester
CAS No: 119767-00-9 Catalog No: AG000PMM MDL No:MFCD20274573
Product Description
Catalog Number:
AG000PMM
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3-furanylmethyl ester
CAS Number:
119767-00-9
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD20274573
IUPAC Name:
furan-3-ylmethyl 1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C10H9NO3/c12-10(9-2-1-4-11-9)14-7-8-3-5-13-6-8/h1-6,11H,7H2
InChI Key:
CSYQMTPUTVJNPT-UHFFFAOYSA-N
SMILES:
O=C(c1[nH]ccc1)OCc1ccoc1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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