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138715-66-9 | 3,4-Heptanediol, 6-amino-7-(2-methyl-1,3-dioxolan-2-yl)-
CAS No: 138715-66-9 Catalog No: AG00192C MDL No:
Product Description
Catalog Number:
AG00192C
Chemical Name:
3,4-Heptanediol, 6-amino-7-(2-methyl-1,3-dioxolan-2-yl)-
CAS Number:
138715-66-9
Molecular Formula:
C11H23NO4
Molecular Weight:
233.3046
IUPAC Name:
6-amino-7-(2-methyl-1,3-dioxolan-2-yl)heptane-3,4-diol
InChI:
InChI=1S/C11H23NO4/c1-3-9(13)10(14)6-8(12)7-11(2)15-4-5-16-11/h8-10,13-14H,3-7,12H2,1-2H3
InChI Key:
KHQNBZRZKAZCFK-UHFFFAOYSA-N
SMILES:
CCC(C(CC(CC1(C)OCCO1)N)O)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.308g/mol
Monoisotopic Mass:
233.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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