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156317-04-3 | 2-Pentynoic acid, 4-hydroxy-, ethyl ester, (4S)-
CAS No: 156317-04-3 Catalog No: AG001OOO MDL No:
Product Description
Catalog Number:
AG001OOO
Chemical Name:
2-Pentynoic acid, 4-hydroxy-, ethyl ester, (4S)-
CAS Number:
156317-04-3
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
IUPAC Name:
ethyl (4S)-4-hydroxypent-2-ynoate
InChI:
InChI=1S/C7H10O3/c1-3-10-7(9)5-4-6(2)8/h6,8H,3H2,1-2H3/t6-/m0/s1
InChI Key:
UHUSKECRWHTFMW-LURJTMIESA-N
SMILES:
CCOC(=O)C#C[C@@H](O)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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