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72036-35-2 | 2-Pentynoic acid, 4-hydroxy-, ethyl ester
CAS No: 72036-35-2 Catalog No: AG005DKH MDL No:MFCD20484443
Product Description
Catalog Number:
AG005DKH
Chemical Name:
2-Pentynoic acid, 4-hydroxy-, ethyl ester
CAS Number:
72036-35-2
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD20484443
IUPAC Name:
ethyl 4-hydroxypent-2-ynoate
InChI:
InChI=1S/C7H10O3/c1-3-10-7(9)5-4-6(2)8/h6,8H,3H2,1-2H3
InChI Key:
UHUSKECRWHTFMW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C#CC(O)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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