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1297546-22-5 | 1H-Pyrazole-3-carboxylic acid, 5-(methoxymethyl)-, ethyl ester
CAS No: 1297546-22-5 Catalog No: AG000TMN MDL No:MFCD23105878
Product Description
Catalog Number:
AG000TMN
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-(methoxymethyl)-, ethyl ester
CAS Number:
1297546-22-5
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
MDL Number:
MFCD23105878
IUPAC Name:
ethyl 5-(methoxymethyl)-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C8H12N2O3/c1-3-13-8(11)7-4-6(5-12-2)9-10-7/h4H,3,5H2,1-2H3,(H,9,10)
InChI Key:
HAVGYLPMVBRFCV-UHFFFAOYSA-N
SMILES:
COCc1[nH]nc(c1)C(=O)OCC
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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