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85064-61-5 | Tetrahydropyranyl-4-acetic acid
CAS No: 85064-61-5 Catalog No: AG0036EC MDL No:MFCD01631204
Product Description
Catalog Number:
AG0036EC
Chemical Name:
Tetrahydropyranyl-4-acetic acid
CAS Number:
85064-61-5
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
MDL Number:
MFCD01631204
IUPAC Name:
2-(oxan-4-yl)acetic acid
InChI:
InChI=1S/C7H12O3/c8-7(9)5-6-1-3-10-4-2-6/h6H,1-5H2,(H,8,9)
InChI Key:
PBXYNWPYMVWJAH-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CCOCC1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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