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26956-47-8

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Basic Information
CAS No.: 26956-47-8
Name: 1-BENZYL-4-HYDROXY-5-AZAINDOLE
Molecular Structure:
Molecular Structure of 26956-47-8 (1-BENZYL-4-HYDROXY-5-AZAINDOLE)
Formula: C14H12N2O
Molecular Weight: 224.262
Synonyms: 4H-Pyrrolo[3,2-c]pyridin-4-one,1-benzyl-1,5-dihydro- (8CI);1-Benzyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one;1-benzyl-1,5-dihydro-4H-pyrrolo[3,2-c]pyridin-4-one;
Density: 1.211 g/cm3
Boiling Point: 473.926 °C at 760 mmHg
Flash Point: 240.422 °C
PSA: 37.79000
LogP: 2.37790
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Specification

The CAS register number of 4H-Pyrrolo[3,2-c]pyridin-4-one,1,5-dihydro-1-(phenylmethyl)- is 26956-47-8. It also can be called as 1-benzyl-1,5-dihydro-4H-pyrrolo[3,2-c]pyridin-4-one and the IUPAC name about this chemical is 1-benzyl-5H-pyrrolo[3,2-c]pyridin-4-one. The molecular formula about this chemical is C14H12N2O and the molecular weight is 224.26208.

Physical properties about 4H-Pyrrolo[3,2-c]pyridin-4-one,1,5-dihydro-1-(phenylmethyl)- are: (1)ACD/LogP: 3.42; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 234; (5)ACD/BCF (pH 7.4): 234; (6)ACD/KOC (pH 5.5): 1725; (7)ACD/KOC (pH 7.4): 1725; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 34.03 Å2; (12)Index of Refraction: 1.647; (13)Molar Refractivity: 67.28 cm3; (14)Molar Volume: 185.236 cm3; (15)Polarizability: 26.672x10-24cm3; (16)Surface Tension: 48.983 dyne/cm; (17)Density: 1.211 g/cm3; (18)Flash Point: 240.422 °C; (19)Enthalpy of Vaporization: 73.715 kJ/mol; (20)Boiling Point: 473.926 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)Cn2ccc3c2cc[nH]c3=O
(2)InChI: InChI=1/C14H12N2O/c17-14-12-7-9-16(13(12)6-8-15-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17)
(3)InChIKey: VFDCHRWQDACBOK-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C14H12N2O/c17-14-12-7-9-16(13(12)6-8-15-14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,17)
(5)Std. InChIKey: VFDCHRWQDACBOK-UHFFFAOYSA-N