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101333-98-6 | 2-Benzoxazolemethanamine
CAS No: 101333-98-6 Catalog No: AG00049F MDL No:MFCD03990563
Product Description
Catalog Number:
AG00049F
Chemical Name:
2-Benzoxazolemethanamine
CAS Number:
101333-98-6
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD03990563
IUPAC Name:
1,3-benzoxazol-2-ylmethanamine
InChI:
InChI=1S/C8H8N2O/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2
InChI Key:
YKUMWOOPDHGKIR-UHFFFAOYSA-N
SMILES:
NCc1nc2c(o1)cccc2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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