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100046-97-7 | Butanedioic acid, [(4-methoxyphenyl)methylene]-, dimethyl ester, (2E)- (9CI)
CAS No: 100046-97-7 Catalog No: AG0000NN MDL No:
Product Description
Catalog Number:
AG0000NN
Chemical Name:
Butanedioic acid, [(4-methoxyphenyl)methylene]-, dimethyl ester, (2E)- (9CI)
CAS Number:
100046-97-7
Molecular Formula:
C14H16O5
Molecular Weight:
264.2738
IUPAC Name:
dimethyl 2-[(4-methoxyphenyl)methylidene]butanedioate
InChI:
InChI=1S/C14H16O5/c1-17-12-6-4-10(5-7-12)8-11(14(16)19-3)9-13(15)18-2/h4-8H,9H2,1-3H3
InChI Key:
UCFGXSHHEYZTGB-UHFFFAOYSA-N
SMILES:
COC(=O)C/C(=C\c1ccc(cc1)OC)/C(=O)OC
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.277g/mol
Monoisotopic Mass:
264.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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