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30434-54-9 | 2-Butenoic acid, 3-methyl-, 2-methylpropyl ester
CAS No: 30434-54-9 Catalog No: AG00303W MDL No:
Product Description
Catalog Number:
AG00303W
Chemical Name:
2-Butenoic acid, 3-methyl-, 2-methylpropyl ester
CAS Number:
30434-54-9
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
2-methylpropyl 3-methylbut-2-enoate
InChI:
InChI=1S/C9H16O2/c1-7(2)5-9(10)11-6-8(3)4/h5,8H,6H2,1-4H3
InChI Key:
OORIYKITSHAVJG-UHFFFAOYSA-N
SMILES:
CC(COC(=O)C=C(C)C)C
EC Number:
250-197-4
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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