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87388-25-8 | 1H-Pyrrole-3-carbonitrile, 4-(2-hydroxyphenyl)-
CAS No: 87388-25-8 Catalog No: AG004K3J MDL No:
Product Description
Catalog Number:
AG004K3J
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-(2-hydroxyphenyl)-
CAS Number:
87388-25-8
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
4-(2-hydroxyphenyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C11H8N2O/c12-5-8-6-13-7-10(8)9-3-1-2-4-11(9)14/h1-4,6-7,13-14H
InChI Key:
NSWDRZZCLPJHAP-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]cc1c1ccccc1O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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