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27550-72-7 | 2-Propenoic acid, chloromethyl ester
CAS No: 27550-72-7 Catalog No: AG002U2C MDL No:
Product Description
Catalog Number:
AG002U2C
Chemical Name:
2-Propenoic acid, chloromethyl ester
CAS Number:
27550-72-7
Molecular Formula:
C4H5ClO2
Molecular Weight:
120.5343
IUPAC Name:
chloromethyl prop-2-enoate
InChI:
InChI=1S/C4H5ClO2/c1-2-4(6)7-3-5/h2H,1,3H2
InChI Key:
KMKLIOQYUUPLMA-UHFFFAOYSA-N
SMILES:
ClCOC(=O)C=C
Properties
Complexity:
79.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.998g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.532g/mol
Monoisotopic Mass:
119.998g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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