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142174-80-9 | Heptanedioic acid, hydroxy- (9CI)
CAS No: 142174-80-9 Catalog No: AG001HW4 MDL No:
Product Description
Catalog Number:
AG001HW4
Chemical Name:
Heptanedioic acid, hydroxy- (9CI)
CAS Number:
142174-80-9
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
IUPAC Name:
2-hydroxyheptanedioic acid
InChI:
InChI=1S/C7H12O5/c8-5(7(11)12)3-1-2-4-6(9)10/h5,8H,1-4H2,(H,9,10)(H,11,12)
InChI Key:
LYFNCKPMTCSLBV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC(C(=O)O)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.168g/mol
Monoisotopic Mass:
176.068g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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