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89775-16-6 | 1-(prop-2-yn-1-ylamino)but-3-en-2-ol
CAS No: 89775-16-6 Catalog No: AG003YOB MDL No:MFCD19219729
Product Description
Catalog Number:
AG003YOB
Chemical Name:
1-(prop-2-yn-1-ylamino)but-3-en-2-ol
CAS Number:
89775-16-6
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD19219729
IUPAC Name:
1-(prop-2-ynylamino)but-3-en-2-ol
InChI:
InChI=1S/C7H11NO/c1-3-5-8-6-7(9)4-2/h1,4,7-9H,2,5-6H2
InChI Key:
MDXHPHXUMGDJAS-UHFFFAOYSA-N
SMILES:
OC(C=C)CNCC#C
NSC Number:
53430
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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