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131666-74-5 | 1H-Indazole-3-acetic acid, Methyl ester
CAS No: 131666-74-5 Catalog No: AG000ZKB MDL No:MFCD20527514
Product Description
Catalog Number:
AG000ZKB
Chemical Name:
1H-Indazole-3-acetic acid, Methyl ester
CAS Number:
131666-74-5
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD20527514
IUPAC Name:
methyl 2-(2H-indazol-3-yl)acetate
InChI:
InChI=1S/C10H10N2O2/c1-14-10(13)6-9-7-4-2-3-5-8(7)11-12-9/h2-5H,6H2,1H3,(H,11,12)
InChI Key:
GJIMTGCSEXYRCB-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1n[nH]c2c1cccc2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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