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13314-92-6 | 2-Butenedioic acid, 2,3-dimethyl-, dimethyl ester, (2Z)-
CAS No: 13314-92-6 Catalog No: AG0014BF MDL No:
Product Description
Catalog Number:
AG0014BF
Chemical Name:
2-Butenedioic acid, 2,3-dimethyl-, dimethyl ester, (2Z)-
CAS Number:
13314-92-6
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
IUPAC Name:
dimethyl 2,3-dimethylbut-2-enedioate
InChI:
InChI=1S/C8H12O4/c1-5(7(9)11-3)6(2)8(10)12-4/h1-4H3
InChI Key:
OYJAKTNXALPBMX-UHFFFAOYSA-N
SMILES:
COC(=O)/C(=C(\C(=O)OC)/C)/C
Properties
Complexity:
203
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:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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