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181894-69-9 | Pentanoic acid, bis(hydroxymethyl)-
CAS No: 181894-69-9 Catalog No: AG00237B MDL No:
Product Description
Catalog Number:
AG00237B
Chemical Name:
Pentanoic acid, bis(hydroxymethyl)-
CAS Number:
181894-69-9
Molecular Formula:
C7H14O4
Molecular Weight:
162.1837
IUPAC Name:
2,2-bis(hydroxymethyl)pentanoic acid
InChI:
InChI=1S/C7H14O4/c1-2-3-7(4-8,5-9)6(10)11/h8-9H,2-5H2,1H3,(H,10,11)
InChI Key:
UHAMPPWFPNXLIU-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)O)(CO)CO
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
162.185g/mol
Monoisotopic Mass:
162.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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