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88683-71-0 | 4-Pentenoic acid, 5-chloro-2-methoxy-4-methyl-
CAS No: 88683-71-0 Catalog No: AG004792 MDL No:
Product Description
Catalog Number:
AG004792
Chemical Name:
4-Pentenoic acid, 5-chloro-2-methoxy-4-methyl-
CAS Number:
88683-71-0
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
IUPAC Name:
5-chloro-2-methoxy-4-methylpent-4-enoic acid
InChI:
InChI=1S/C7H11ClO3/c1-5(4-8)3-6(11-2)7(9)10/h4,6H,3H2,1-2H3,(H,9,10)
InChI Key:
NJOBZKXVWYUMPQ-UHFFFAOYSA-N
SMILES:
CC(=CCl)CC(C(=O)O)OC
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.04g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.612g/mol
Monoisotopic Mass:
178.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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