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124562-10-3 | 6-Octynoic acid, 3-hydroxy-4-methyl-2-(methylamino)- (9CI)
CAS No: 124562-10-3 Catalog No: AG000M7P MDL No:
Product Description
Catalog Number:
AG000M7P
Chemical Name:
6-Octynoic acid, 3-hydroxy-4-methyl-2-(methylamino)- (9CI)
CAS Number:
124562-10-3
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
IUPAC Name:
3-hydroxy-4-methyl-2-(methylamino)oct-6-ynoic acid
InChI:
InChI=1S/C10H17NO3/c1-4-5-6-7(2)9(12)8(11-3)10(13)14/h7-9,11-12H,6H2,1-3H3,(H,13,14)
InChI Key:
YZGVAJYJPSGLLK-UHFFFAOYSA-N
SMILES:
CNC(C(C(CC#CC)C)O)C(=O)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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