200,000+ products from a single source!
sales@angenechem.com
88767-24-2 | 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-, 1,1-dimethylethyl ester
CAS No: 88767-24-2 Catalog No: AG004CZX MDL No:
Product Description
Catalog Number:
AG004CZX
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-, 1,1-dimethylethyl ester
CAS Number:
88767-24-2
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
IUPAC Name:
tert-butyl 4,5-dihydro-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C8H14N2O2/c1-8(2,3)12-7(11)6-4-5-9-10-6/h9H,4-5H2,1-3H3
InChI Key:
ZRTQSYBPDFLAMO-UHFFFAOYSA-N
SMILES:
O=C(C1=NNCC1)OC(C)(C)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.212g/mol
Monoisotopic Mass:
170.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.