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102674-24-8 | 2-Butenoic acid, 2-(methoxymethyl)-3-methyl-, ethyl ester
CAS No: 102674-24-8 Catalog No: AG00082Z MDL No:
Product Description
Catalog Number:
AG00082Z
Chemical Name:
2-Butenoic acid, 2-(methoxymethyl)-3-methyl-, ethyl ester
CAS Number:
102674-24-8
Molecular Formula:
C9H16O3
Molecular Weight:
172.2215
IUPAC Name:
ethyl 2-(methoxymethyl)-3-methylbut-2-enoate
InChI:
InChI=1S/C9H16O3/c1-5-12-9(10)8(6-11-4)7(2)3/h5-6H2,1-4H3
InChI Key:
UAXSFBFMGJGLFW-UHFFFAOYSA-N
SMILES:
COCC(=C(C)C)C(=O)OCC
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.224g/mol
Monoisotopic Mass:
172.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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