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5400-75-9 | 2H-Benzimidazol-2-one, 1,3-dihydro-5-methyl-
CAS No: 5400-75-9 Catalog No: AG00I9N4 MDL No:MFCD00754728
Product Description
Catalog Number:
AG00I9N4
Chemical Name:
2H-Benzimidazol-2-one, 1,3-dihydro-5-methyl-
CAS Number:
5400-75-9
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD00754728
IUPAC Name:
5-methyl-1,3-dihydrobenzimidazol-2-one
InChI:
InChI=1S/C8H8N2O/c1-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)
InChI Key:
CTCHXZUMFHNSHM-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)[nH]c(=O)[nH]2
NSC Number:
10384
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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