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885271-26-1 | 1H-Indazole-5-propanoicacid, ethyl ester
CAS No: 885271-26-1 Catalog No: AG00473N MDL No:
Product Description
Catalog Number:
AG00473N
Chemical Name:
1H-Indazole-5-propanoicacid, ethyl ester
CAS Number:
885271-26-1
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
ethyl 3-(1H-indazol-5-yl)propanoate
InChI:
InChI=1S/C12H14N2O2/c1-2-16-12(15)6-4-9-3-5-11-10(7-9)8-13-14-11/h3,5,7-8H,2,4,6H2,1H3,(H,13,14)
InChI Key:
YGKUOQIKXOFOJV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1ccc2c(c1)cn[nH]2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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