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18941-92-9 | 4-Hepten-6-ynoic acid, 2-amino-
CAS No: 18941-92-9 Catalog No: AG002DNK MDL No:
Product Description
Catalog Number:
AG002DNK
Chemical Name:
4-Hepten-6-ynoic acid, 2-amino-
CAS Number:
18941-92-9
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
IUPAC Name:
2-aminohept-4-en-6-ynoic acid
InChI:
InChI=1S/C7H9NO2/c1-2-3-4-5-6(8)7(9)10/h1,3-4,6H,5,8H2,(H,9,10)
InChI Key:
CHXSDCXDWAXIBR-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)CC=CC#C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-2.1
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