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113615-00-2 | 2-Propenoic acid, 2-methyl-, 3-methylpentyl ester
CAS No: 113615-00-2 Catalog No: AG00095A MDL No:
Product Description
Catalog Number:
AG00095A
Chemical Name:
2-Propenoic acid, 2-methyl-, 3-methylpentyl ester
CAS Number:
113615-00-2
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
3-methylpentyl 2-methylprop-2-enoate
InChI:
InChI=1S/C10H18O2/c1-5-9(4)6-7-12-10(11)8(2)3/h9H,2,5-7H2,1,3-4H3
InChI Key:
QKMOBSUDXQCKPG-UHFFFAOYSA-N
SMILES:
CCC(CCOC(=O)C(=C)C)C
Properties
Complexity:
161
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:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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