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87776-18-9 | 2-Pentenoic acid, 4-methyl-, 1,1-dimethylethyl ester, (E)-
CAS No: 87776-18-9 Catalog No: AG004KYZ MDL No:
Product Description
Catalog Number:
AG004KYZ
Chemical Name:
2-Pentenoic acid, 4-methyl-, 1,1-dimethylethyl ester, (E)-
CAS Number:
87776-18-9
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
tert-butyl 4-methylpent-2-enoate
InChI:
InChI=1S/C10H18O2/c1-8(2)6-7-9(11)12-10(3,4)5/h6-8H,1-5H3
InChI Key:
IWKSGRQWQFCGEM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)/C=C/C(C)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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