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101327-52-0 | Propanoic acid, 2,2-dimethyl-, 2-buten-1-yl ester
CAS No: 101327-52-0 Catalog No: AG00047L MDL No:
Product Description
Catalog Number:
AG00047L
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 2-buten-1-yl ester
CAS Number:
101327-52-0
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
IUPAC Name:
but-2-enyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C9H16O2/c1-5-6-7-11-8(10)9(2,3)4/h5-6H,7H2,1-4H3
InChI Key:
QWPBIBFAFGOWLK-UHFFFAOYSA-N
SMILES:
CC=CCOC(=O)C(C)(C)C
Properties
Complexity:
151
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:
1
XLogP3:
2.4
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