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1385696-76-3 | 4-(2-Methylpropyl)oxane-4-carboxylic acid
CAS No: 1385696-76-3 Catalog No: AG01FBME MDL No:
Product Description
Catalog Number:
AG01FBME
Chemical Name:
4-(2-Methylpropyl)oxane-4-carboxylic acid
CAS Number:
1385696-76-3
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
4-(2-methylpropyl)oxane-4-carboxylic acid
InChI:
InChI=1S/C10H18O3/c1-8(2)7-10(9(11)12)3-5-13-6-4-10/h8H,3-7H2,1-2H3,(H,11,12)
InChI Key:
XLHPBFPOLSJCHJ-UHFFFAOYSA-N
SMILES:
CC(CC1(CCOCC1)C(=O)O)C
Properties
Complexity:
181
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:
1
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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