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10099-70-4 | 2-Butenedioic acid (2Z)-, 1,4-bis(1-methylethyl) ester
CAS No: 10099-70-4 Catalog No: AG0003EB MDL No:
Product Description
Catalog Number:
AG0003EB
Chemical Name:
2-Butenedioic acid (2Z)-, 1,4-bis(1-methylethyl) ester
CAS Number:
10099-70-4
Molecular Formula:
C10H16O4
Molecular Weight:
200.2316
IUPAC Name:
dipropan-2-yl (Z)-but-2-enedioate
InChI:
InChI=1S/C10H16O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h5-8H,1-4H3/b6-5-
InChI Key:
FNMTVMWFISHPEV-WAYWQWQTSA-N
SMILES:
CC(OC(=O)/C=C\C(=O)OC(C)C)C
EC Number:
233-242-2
UNII:
M86R5J916V
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
200.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.234g/mol
Monoisotopic Mass:
200.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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