Computed Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Synonyms
2-Hexynoic acid
764-33-0
AC1Q2UE3
SCHEMBL1067230
AKYAUBWOTZJUBI-UHFFFAOYSA-
CTK2H8353
2-HEXYNOIC ACID, 96%
DTXSID30314889
ZINC1565357
ANW-36791
NSC289569
SBB009091
hex-2-ynoic acid
AKOS006223503
NSC-289569
SC-96568
DB-056061
TL8005218
TR-024470
FT-0612500
InChI=1/C6H8O2/c1-2-3-4-5-6(7)8/h2-3H2,1H3,(H,7,8)
CID324380
2-Hexynoic acid, 97% - 1G 1g
2-HEXYNOICACID
H0665
hexynoic acid
AKYAUBWOTZJUBI-UHFFFAOYSA-N
MFCD00014371
ACMC-1BEZK
AC1L8ACR
2-Hexynoic acid, 97%
