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78139-25-0 | Heptanoic acid, 2-formyl-, ethyl ester
CAS No: 78139-25-0 Catalog No: AG0054Z1 MDL No:
Product Description
Catalog Number:
AG0054Z1
Chemical Name:
Heptanoic acid, 2-formyl-, ethyl ester
CAS Number:
78139-25-0
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
ethyl 2-formylheptanoate
InChI:
InChI=1S/C10H18O3/c1-3-5-6-7-9(8-11)10(12)13-4-2/h8-9H,3-7H2,1-2H3
InChI Key:
CAETZEKKUMPNRC-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)OCC)C=O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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