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20363-83-1 | 2-Propenoic acid, 2-methyl-, 2-ethoxy-2-oxoethyl ester
CAS No: 20363-83-1 Catalog No: AG00291V MDL No:
Product Description
Catalog Number:
AG00291V
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-ethoxy-2-oxoethyl ester
CAS Number:
20363-83-1
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
IUPAC Name:
(2-ethoxy-2-oxoethyl) 2-methylprop-2-enoate
InChI:
InChI=1S/C8H12O4/c1-4-11-7(9)5-12-8(10)6(2)3/h2,4-5H2,1,3H3
InChI Key:
ZQFZSKPXTQMPNC-UHFFFAOYSA-N
SMILES:
CCOC(=O)COC(=O)C(=C)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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