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10199-61-8 | 1H-Pyrazole-1-acetic acid, ethyl ester
CAS No: 10199-61-8 Catalog No: AG00066Y MDL No:MFCD00159620
Product Description
Catalog Number:
AG00066Y
Chemical Name:
1H-Pyrazole-1-acetic acid, ethyl ester
CAS Number:
10199-61-8
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD00159620
IUPAC Name:
ethyl 2-pyrazol-1-ylacetate
InChI:
InChI=1S/C7H10N2O2/c1-2-11-7(10)6-9-5-3-4-8-9/h3-5H,2,6H2,1H3
InChI Key:
SEHJVNBWAGPXSM-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1cccn1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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