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27507-90-0 | 2-Benzoxazolecarboxylic acid, hydrazide
CAS No: 27507-90-0 Catalog No: AG002TYR MDL No:MFCD09701310
Product Description
Catalog Number:
AG002TYR
Chemical Name:
2-Benzoxazolecarboxylic acid, hydrazide
CAS Number:
27507-90-0
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD09701310
IUPAC Name:
1,3-benzoxazole-2-carbohydrazide
InChI:
InChI=1S/C8H7N3O2/c9-11-7(12)8-10-5-3-1-2-4-6(5)13-8/h1-4H,9H2,(H,11,12)
InChI Key:
VKHNEIIQEKUELV-UHFFFAOYSA-N
SMILES:
NNC(=O)c1nc2c(o1)cccc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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