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116257-35-3 | 4-Pentynoic acid, 3-(acetyloxy)-, ethyl ester, (R)- (9CI)
CAS No: 116257-35-3 Catalog No: AG000C1W MDL No:
Product Description
Catalog Number:
AG000C1W
Chemical Name:
4-Pentynoic acid, 3-(acetyloxy)-, ethyl ester, (R)- (9CI)
CAS Number:
116257-35-3
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
IUPAC Name:
ethyl 3-acetyloxypent-4-ynoate
InChI:
InChI=1S/C9H12O4/c1-4-8(13-7(3)10)6-9(11)12-5-2/h1,8H,5-6H2,2-3H3
InChI Key:
AUERSBJAZZSYEF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C[C@@H](OC(=O)C)C#C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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