1-Methylbenzimidazol-2(3H)-one - CAS 1849-01-0
Catalog: |
BB014165 |
Product Name: |
1-Methylbenzimidazol-2(3H)-one |
CAS: |
1849-01-0 |
Synonyms: |
3-methyl-1H-benzimidazol-2-one; 3-methyl-1H-benzimidazol-2-one |
IUPAC Name: | 3-methyl-1H-benzimidazol-2-one |
Description: | 1-Methylbenzimidazol-2(3H)-one (CAS# 1849-01-0) is a useful research chemical. |
Molecular Weight: | 148.16 |
Molecular Formula: | C8H8N2O |
Canonical SMILES: | CN1C2=CC=CC=C2NC1=O |
InChI: | InChI=1S/C8H8N2O/c1-10-7-5-3-2-4-6(7)9-8(10)11/h2-5H,1H3,(H,9,11) |
InChI Key: | PYEHNKXDXBNHQQ-UHFFFAOYSA-N |
Density: | 1.213 g/cm3 |
MDL: | MFCD00142654 |
LogP: | 0.86660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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