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5580-33-6 | 3,4-Dimethylbenzamide
CAS No: 5580-33-6 Catalog No: AG003IIK MDL No:MFCD00052960
Product Description
Catalog Number:
AG003IIK
Chemical Name:
3,4-Dimethylbenzamide
CAS Number:
5580-33-6
Molecular Formula:
C9H11NO
Molecular Weight:
149.1897
MDL Number:
MFCD00052960
IUPAC Name:
3,4-dimethylbenzamide
InChI:
InChI=1S/C9H11NO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H2,10,11)
InChI Key:
INGCXEIJXKQPJH-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(c(c1)C)C
UNII:
1RMM93929W
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
149.193g/mol
Monoisotopic Mass:
149.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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