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29017-18-3 | Pentanal, 3,4-dimethyl-, (3R)-
CAS No: 29017-18-3 Catalog No: AG002V7U MDL No:
Product Description
Catalog Number:
AG002V7U
Chemical Name:
Pentanal, 3,4-dimethyl-, (3R)-
CAS Number:
29017-18-3
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
IUPAC Name:
(3R)-3,4-dimethylpentanal
InChI:
InChI=1S/C7H14O/c1-6(2)7(3)4-5-8/h5-7H,4H2,1-3H3/t7-/m1/s1
InChI Key:
SZBNDYYJXRXQHA-SSDOTTSWSA-N
SMILES:
O=CC[C@H](C(C)C)C
Properties
Complexity:
66.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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