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198541-37-6 | 4-Heptynamide, N-methoxy-N,2-dimethyl-, (2S)-
CAS No: 198541-37-6 Catalog No: AG002BL3 MDL No:
Product Description
Catalog Number:
AG002BL3
Chemical Name:
4-Heptynamide, N-methoxy-N,2-dimethyl-, (2S)-
CAS Number:
198541-37-6
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
(2S)-N-methoxy-N,2-dimethylhept-4-ynamide
InChI:
InChI=1S/C10H17NO2/c1-5-6-7-8-9(2)10(12)11(3)13-4/h9H,5,8H2,1-4H3/t9-/m0/s1
InChI Key:
FBTMGWPOCKIOPV-VIFPVBQESA-N
SMILES:
CON(C(=O)[C@H](CC#CCC)C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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