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117428-51-0 | Benzeneacetic acid, 2-(chloromethyl)-α-(methoxymethylene)-, methyl ester, (αE)-
CAS No: 117428-51-0 Catalog No: AG000EBB MDL No:
Product Description
Catalog Number:
AG000EBB
Chemical Name:
Benzeneacetic acid, 2-(chloromethyl)-α-(methoxymethylene)-, methyl ester, (αE)-
CAS Number:
117428-51-0
Molecular Formula:
C12H13ClO3
Molecular Weight:
240.6828
IUPAC Name:
methyl (E)-2-[2-(chloromethyl)phenyl]-3-methoxyprop-2-enoate
InChI:
InChI=1S/C12H13ClO3/c1-15-8-11(12(14)16-2)10-6-4-3-5-9(10)7-13/h3-6,8H,7H2,1-2H3/b11-8+
InChI Key:
QHBMFLGCOYKWJH-DHZHZOJOSA-N
SMILES:
CO/C=C(\c1ccccc1CCl)/C(=O)OC
EC Number:
473-070-7
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
240.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.683g/mol
Monoisotopic Mass:
240.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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