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1605-38-5 | 2-Cyclopropene-1-carboxylic acid, 2,3-dipropyl-
CAS No: 1605-38-5 Catalog No: AG001RYW MDL No:
Product Description
Catalog Number:
AG001RYW
Chemical Name:
2-Cyclopropene-1-carboxylic acid, 2,3-dipropyl-
CAS Number:
1605-38-5
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
2,3-dipropylcycloprop-2-ene-1-carboxylic acid
InChI:
InChI=1S/C10H16O2/c1-3-5-7-8(6-4-2)9(7)10(11)12/h9H,3-6H2,1-2H3,(H,11,12)
InChI Key:
VGTRQJKHNOWXDC-UHFFFAOYSA-N
SMILES:
CCCC1=C(C1C(=O)O)CCC
NSC Number:
152335
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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