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116431-94-8 | 1-Buten-1-ol, 2-chloro-, acetate, (E)- (9CI)
CAS No: 116431-94-8 Catalog No: AG000CGW MDL No:
Product Description
Catalog Number:
AG000CGW
Chemical Name:
1-Buten-1-ol, 2-chloro-, acetate, (E)- (9CI)
CAS Number:
116431-94-8
Molecular Formula:
C6H9ClO2
Molecular Weight:
148.5875
IUPAC Name:
acetic acid;2-chlorobut-1-en-1-ol
InChI:
InChI=1S/C4H7ClO.C2H4O2/c1-2-4(5)3-6;1-2(3)4/h3,6H,2H2,1H3;1H3,(H,3,4)
InChI Key:
VWIOAMCRMAGVGP-UHFFFAOYSA-N
SMILES:
CC/C(=C\OC(=O)C)/Cl
Properties
Complexity:
89.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.601g/mol
Monoisotopic Mass:
166.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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