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83783-87-3 | 2-Butenoic acid,2-methyl-, 3-methyl-3-buten-1-yl ester, (2E)-
CAS No: 83783-87-3 Catalog No: AG0055Q4 MDL No:
Product Description
Catalog Number:
AG0055Q4
Chemical Name:
2-Butenoic acid,2-methyl-, 3-methyl-3-buten-1-yl ester, (2E)-
CAS Number:
83783-87-3
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
3-methylbut-3-enyl (E)-2-methylbut-2-enoate
InChI:
InChI=1S/C10H16O2/c1-5-9(4)10(11)12-7-6-8(2)3/h5H,2,6-7H2,1,3-4H3/b9-5+
InChI Key:
LMPCYQLIAVCCCL-WEVVVXLNSA-N
SMILES:
C/C=C(/C(=O)OCCC(=C)C)\C
EC Number:
280-822-6
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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