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13335-38-1 | 2H-Pyran-4-acetic acid, 4-carboxytetrahydro-2,6-dimethyl-
CAS No: 13335-38-1 Catalog No: AG0014Q1 MDL No:
Product Description
Catalog Number:
AG0014Q1
Chemical Name:
2H-Pyran-4-acetic acid, 4-carboxytetrahydro-2,6-dimethyl-
CAS Number:
13335-38-1
Molecular Formula:
C10H16O5
Molecular Weight:
216.2310
IUPAC Name:
4-(carboxymethyl)-2,6-dimethyloxane-4-carboxylic acid
InChI:
InChI=1S/C10H16O5/c1-6-3-10(9(13)14,5-8(11)12)4-7(2)15-6/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChI Key:
NRMOEYZJVUBLMB-UHFFFAOYSA-N
SMILES:
CC1OC(C)CC(C1)(CC(=O)O)C(=O)O
NSC Number:
168408
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.233g/mol
Monoisotopic Mass:
216.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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