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19265-22-6 | 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-(4-methoxyphenyl)-, methyl ester
CAS No: 19265-22-6 Catalog No: AG002G6I MDL No:
Product Description
Catalog Number:
AG002G6I
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-(4-methoxyphenyl)-, methyl ester
CAS Number:
19265-22-6
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
IUPAC Name:
methyl 5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C12H14N2O3/c1-16-9-5-3-8(4-6-9)10-7-11(14-13-10)12(15)17-2/h3-6,10,13H,7H2,1-2H3
InChI Key:
HXYPIKTWKSEEQR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1NN=C(C1)C(=O)OC
NSC Number:
117259
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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