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88928-54-5 | 4-Octynoic acid, 8-hydroxy-
CAS No: 88928-54-5 Catalog No: AG0048SC MDL No:
Product Description
Catalog Number:
AG0048SC
Chemical Name:
4-Octynoic acid, 8-hydroxy-
CAS Number:
88928-54-5
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
8-hydroxyoct-4-ynoic acid
InChI:
InChI=1S/C8H12O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,3-7H2,(H,10,11)
InChI Key:
UANKZDKIZCRGQW-UHFFFAOYSA-N
SMILES:
OCCCC#CCCC(=O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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