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155899-34-6 | 4-Hexynoic acid, 2-propyl-, (2R)-
CAS No: 155899-34-6 Catalog No: AG001OBC MDL No:
Product Description
Catalog Number:
AG001OBC
Chemical Name:
4-Hexynoic acid, 2-propyl-, (2R)-
CAS Number:
155899-34-6
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
(2R)-2-propylhex-4-ynoic acid
InChI:
InChI=1S/C9H14O2/c1-3-5-7-8(6-4-2)9(10)11/h8H,4,6-7H2,1-2H3,(H,10,11)/t8-/m1/s1
InChI Key:
AAFSOWLNAOPEQF-MRVPVSSYSA-N
SMILES:
CCC[C@@H](C(=O)O)CC#CC
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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