CAS No.3710-42-7,7-HYDROXYHEPTANOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3710-42-7
Name:	7-HYDROXYHEPTANOIC ACID
Article Data:	8

Formula:	C₇H₁₄O₃
Molecular Weight:	146.186
Synonyms:	7-Hydroxyheptanoicacid;
Density:	1.073 g/cm³
Melting Point:	46 °C
Boiling Point:	285.3 ºC at 760 mmHg
Flash Point:	140.6 ºC
PSA:	57.53000
LogP:	1.01380

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Specification

The IUPAC name of 7-Hydroxyheptanoic acid is 7-hydroxyheptanoic acid. With the CAS registry number 3710-42-7, it is also named as Heptanoic acid,7-hydroxy-. The product's category is pharmaceutical intermediates. In addition, its molecular formula is C₇H₁₄O₃and molecular weight is 146.18.

The other characteristics of 7-Hydroxyheptanoic acid can be summarized as: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.45; (4)ACD/LogD (pH 7.4): -2.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.82; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 37.57 cm³; (15)Molar Volume: 136.2 cm³; (16)Polarizability: 14.89×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.073 g/cm³; (19)Flash Point: 140.6 °C; (20)Enthalpy of Vaporization: 60.85 kJ/mol; (21)Boiling Point: 285.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000324 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:O=C(O)CCCCCCO
InChI:InChI=1/C7H14O3/c8-6-4-2-1-3-5-7(9)10/h8H,1-6H2,(H,9,10)
InChIKey:PNAJBOZYCFSQDJ-UHFFFAOYAL
Std. InChI:InChI=1S/C7H14O3/c8-6-4-2-1-3-5-7(9)10/h8H,1-6H2,(H,9,10)
Std. InChIKey:PNAJBOZYCFSQDJ-UHFFFAOYSA-N