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802982-86-1 | 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-, phenylmethyl ester
CAS No: 802982-86-1 Catalog No: AG005BRC MDL No:
Product Description
Catalog Number:
AG005BRC
Chemical Name:
1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-, phenylmethyl ester
CAS Number:
802982-86-1
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
benzyl 3,4-dihydropyrazole-2-carboxylate
InChI:
InChI=1S/C11H12N2O2/c14-11(13-8-4-7-12-13)15-9-10-5-2-1-3-6-10/h1-3,5-7H,4,8-9H2
InChI Key:
BUUKWFVCUOMKTL-UHFFFAOYSA-N
SMILES:
O=C(N1CCC=N1)OCc1ccccc1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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