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1195902-15-8 | Benzenemethanol, 4-amino-3-ethynyl-
CAS No: 1195902-15-8 Catalog No: AG000P8E MDL No:
Product Description
Catalog Number:
AG000P8E
Chemical Name:
Benzenemethanol, 4-amino-3-ethynyl-
CAS Number:
1195902-15-8
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
IUPAC Name:
(4-amino-3-ethynylphenyl)methanol
InChI:
InChI=1S/C9H9NO/c1-2-8-5-7(6-11)3-4-9(8)10/h1,3-5,11H,6,10H2
InChI Key:
ATXMNKDHBORUCF-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)C#C)N
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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