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138782-99-7 | Oxiranemethanol, aminobenzoate (9CI)
CAS No: 138782-99-7 Catalog No: AG0019KD MDL No:
Product Description
Catalog Number:
AG0019KD
Chemical Name:
Oxiranemethanol, aminobenzoate (9CI)
CAS Number:
138782-99-7
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
amino benzoate;oxiran-2-ylmethanol
InChI:
InChI=1S/C7H7NO2.C3H6O2/c8-10-7(9)6-4-2-1-3-5-6;4-1-3-2-5-3/h1-5H,8H2;3-4H,1-2H2
InChI Key:
AWCHMMQANBQEFT-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1N)OCC1CO1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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