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41935-25-5 | 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]isoindole-1,3-dione
CAS No: 41935-25-5 Catalog No: AG00I85O MDL No:MFCD11898895
Product Description
Catalog Number:
AG00I85O
Chemical Name:
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]isoindole-1,3-dione
CAS Number:
41935-25-5
Molecular Formula:
C14H13N3O2
Molecular Weight:
255.2719
MDL Number:
MFCD11898895
IUPAC Name:
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C14H13N3O2/c1-8-12(9(2)16-15-8)7-17-13(18)10-5-3-4-6-11(10)14(17)19/h3-6H,7H2,1-2H3,(H,15,16)
InChI Key:
OEVCOOMQWXEDOB-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2c(C)n[nH]c2C)C(=O)c2c1cccc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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