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1576-85-8 | 4-Penten-1-ol, 1-acetate
CAS No: 1576-85-8 Catalog No: AG001PJT MDL No:MFCD00008723
Product Description
Catalog Number:
AG001PJT
Chemical Name:
4-Penten-1-ol, 1-acetate
CAS Number:
1576-85-8
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD00008723
IUPAC Name:
pent-4-enyl acetate
InChI:
InChI=1S/C7H12O2/c1-3-4-5-6-9-7(2)8/h3H,1,4-6H2,2H3
InChI Key:
LVHDNIMNOMRZMF-UHFFFAOYSA-N
SMILES:
C=CCCCOC(=O)C
EC Number:
216-413-6
UNII:
V4SIF0MABV
NSC Number:
102504
FEMA Number:
4011
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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