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140111-45-1 | 2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, 1-methylethyl ester, (E)- (9CI)
CAS No: 140111-45-1 Catalog No: AG001C1M MDL No:
Product Description
Catalog Number:
AG001C1M
Chemical Name:
2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, 1-methylethyl ester, (E)- (9CI)
CAS Number:
140111-45-1
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
propan-2-yl 3-(2,4-dimethoxyphenyl)prop-2-enoate
InChI:
InChI=1S/C14H18O4/c1-10(2)18-14(15)8-6-11-5-7-12(16-3)9-13(11)17-4/h5-10H,1-4H3
InChI Key:
QWCSYPVJZXAGMV-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1/C=C/C(=O)OC(C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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