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157525-13-8 | 2-Propenoic acid, 4-[(2-chloroacetyl)oxy]butyl ester
CAS No: 157525-13-8 Catalog No: AG001PHI MDL No:
Product Description
Catalog Number:
AG001PHI
Chemical Name:
2-Propenoic acid, 4-[(2-chloroacetyl)oxy]butyl ester
CAS Number:
157525-13-8
Molecular Formula:
C9H13ClO4
Molecular Weight:
220.6501
IUPAC Name:
4-(2-chloroacetyl)oxybutyl prop-2-enoate
InChI:
InChI=1S/C9H13ClO4/c1-2-8(11)13-5-3-4-6-14-9(12)7-10/h2H,1,3-7H2
InChI Key:
LLDNFFCYZUBMQU-UHFFFAOYSA-N
SMILES:
ClCC(=O)OCCCCOC(=O)C=C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.649g/mol
Monoisotopic Mass:
220.05g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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