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133841-08-4 | 7-Methoxy-1H-indazole-3-carboxylic acid
CAS No: 133841-08-4 Catalog No: AG007202 MDL No:MFCD05663994
Product Description
Catalog Number:
AG007202
Chemical Name:
7-Methoxy-1H-indazole-3-carboxylic acid
CAS Number:
133841-08-4
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD05663994
IUPAC Name:
7-methoxy-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C9H8N2O3/c1-14-6-4-2-3-5-7(6)10-11-8(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
DSUBKQPNJIQYOT-UHFFFAOYSA-N
SMILES:
COc1cccc2c1[nH]nc2C(=O)O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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