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CAS No.: | 35445-70-6 |
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Name: | [(phenylmethoxy)methoxy]methanol |
Molecular Structure: | |
Formula: | C9H12O3 |
Molecular Weight: | 168.18978 |
Synonyms: | [(Benzyloxy)methoxy]methanol; |
EINECS: | 252-570-7 |
Density: | 1.128 g/cm3 |
Boiling Point: | 197.3 °C at 760 mmHg |
Flash Point: | 73.1 °C |
PSA: | 38.69000 |
LogP: | 1.12710 |
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The Methanol,1-[(phenylmethoxy)methoxy]-, with the CAS registry number of 35445-70-6, is also known as [(Benzyloxy)methoxy]methanol. Its EINECS registry number is 252-570-7. Its molecular formula is C9H12O3 and molecular weight is 168.18978. What's more, its IUPAC name is Phenylmethoxymethoxymethanol.
Physical properties about the Methanol,1-[(phenylmethoxy)methoxy]- are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.96; (5)ACD/BCF (pH 5.5): 18.11; (6)ACD/BCF (pH 7.4): 18.11; (7)ACD/KOC (pH 5.5): 276.73; (8)ACD/KOC (pH 7.4): 276.73; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 45.46 cm3; (15)Molar Volume: 148.9 cm3; (16)Surface Tension: 42.1 dyne/cm; (17)Density: 1.128 g/cm3; (18)Flash Point: 73.1 °C; (19)Enthalpy of Vaporization: 45.83 kJ/mol; (20)Boiling Point: 197.3 °C at 760 mmHg; (21)Vapour Pressure: 0.237 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(COCO)Cc1ccccc1
(2) InChI: InChI=1/C9H12O3/c10-7-12-8-11-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2
(3) InChIKey: POVJSJMXWVTKRR-UHFFFAOYAI