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885271-23-8 | 1H-Indazole-6-propanoicacid
CAS No: 885271-23-8 Catalog No: AG00473Q MDL No:
Product Description
Catalog Number:
AG00473Q
Chemical Name:
1H-Indazole-6-propanoicacid
CAS Number:
885271-23-8
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
3-(1H-indazol-6-yl)propanoic acid
InChI:
InChI=1S/C10H10N2O2/c13-10(14)4-2-7-1-3-8-6-11-12-9(8)5-7/h1,3,5-6H,2,4H2,(H,11,12)(H,13,14)
InChI Key:
CVRGUMPECSUQDI-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc2c(c1)[nH]nc2
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:
2
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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