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13211-09-1 | 2-Butenoic acid, 4-chloro-3-methoxy-, ethyl ester
CAS No: 13211-09-1 Catalog No: AG00108B MDL No:
Product Description
Catalog Number:
AG00108B
Chemical Name:
2-Butenoic acid, 4-chloro-3-methoxy-, ethyl ester
CAS Number:
13211-09-1
Molecular Formula:
C7H11ClO3
Molecular Weight:
178.6134
IUPAC Name:
ethyl 4-chloro-3-methoxybut-2-enoate
InChI:
InChI=1S/C7H11ClO3/c1-3-11-7(9)4-6(5-8)10-2/h4H,3,5H2,1-2H3
InChI Key:
NIIZFHMJEHRMHO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(OC)CCl
Properties
Complexity:
154
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:
0
Isotope Atom Count:
0
Molecular Weight:
178.612g/mol
Monoisotopic Mass:
178.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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