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2509-14-0 | 2-Butenedioic acid, 2-methoxy-, 1,4-dimethyl ester, (2E)-
CAS No: 2509-14-0 Catalog No: AG002QGA MDL No:
Product Description
Catalog Number:
AG002QGA
Chemical Name:
2-Butenedioic acid, 2-methoxy-, 1,4-dimethyl ester, (2E)-
CAS Number:
2509-14-0
Molecular Formula:
C7H10O5
Molecular Weight:
174.1513
IUPAC Name:
dimethyl 2-methoxybut-2-enedioate
InChI:
InChI=1S/C7H10O5/c1-10-5(7(9)12-3)4-6(8)11-2/h4H,1-3H3
InChI Key:
ZJAIMWVOOJQLEN-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C(\C(=O)OC)/OC
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.152g/mol
Monoisotopic Mass:
174.053g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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