Pyrrolo[1,2-a]pyrimidine-3-carboxylicacid supplier

Name
H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid
EINECS
CAS No. 112766-33-3
Density 1.41 g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O₂
Boiling Point
Molecular Weight 162.147
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid;Pyrrolo[1,2-a]pyrimidine-3-carboxylic acid
PSA 54.60000
LogP 1.03250

Pyrrolo[1,2-a]pyrimidine-3-carboxylicacid Specification

The Pyrrolo[1,2-a]pyrimidine-3-carboxylicacid, with its CAS registry number 112766-33-3, has other names like H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid. And it has the molecular formula of C₈H₆N₂O₂ and the molecular weight of 162.147.

The characteristics of Pyrrolo[1,2-a]pyrimidine-3-carboxylicacid are as follows: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.6 Å²; (11)Index of Refraction: 1.676; (12)Molar Refractivity: 43.02 cm³; (13)Molar Volume: 114.3 cm³; (14)Polarizability: 17.05×10^-24cm³; (15)Surface Tension: 60.5 dyne/cm; (16)Density: 1.41 g/cm³.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:c1cc2ncc(cn2c1)C(=O)O
(2)InChI:InChI=1/C8H6N2O2/c11-8(12)6-4-9-7-2-1-3-10(7)5-6/h1-5H,(H,11,12)
(3)InChIKey:ACLAUFPCYXSVEK-UHFFFAOYAM
(4)Std. InChI:InChI=1S/C8H6N2O2/c11-8(12)6-4-9-7-2-1-3-10(7)5-6/h1-5H,(H,11,12)
(5)Std. InChIKey:ACLAUFPCYXSVEK-UHFFFAOYSA-N

Product Name

H-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid

Pyrrolo[1,2-a]pyrimidine-3-carboxylicacid Specification

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