Home Carboxys 2-(1-methyl-1H-pyrazol-5-yl)oxane-3-carboxylic acid, trans

2-(1-methyl-1H-pyrazol-5-yl)oxane-3-carboxylic acid, trans

CAS No.:
1820575-96-9
Catalog Number:
AG01BAN6
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
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Product Description
Catalog Number:
AG01BAN6
Chemical Name:
2-(1-methyl-1H-pyrazol-5-yl)oxane-3-carboxylic acid, trans
CAS Number:
1820575-96-9
Molecular Formula:
C10H14N2O3
Molecular Weight:
210.2298
MDL Number:
MFCD31559729
IUPAC Name:
(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid
InChI:
InChI=1S/C10H14N2O3/c1-12-8(4-5-11-12)9-7(10(13)14)3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)/t7-,9-/m1/s1
InChI Key:
DEWRNFXTBYEBJE-VXNVDRBHSA-N
SMILES:
OC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
210.1g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.233g/mol
Monoisotopic Mass:
210.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties