4- (3-Hydroxypropyl) heptane-1,7-diol

CAT: 1266-JH916652Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH916652Size:1 Each

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CAS Number

154120-65-7

HS Code

2932999099

Molecular Formula

C10H22O3

Molecular Weight

190.28

Physical Properties

Yellow liquid

Chemical Information

4-(3-Hydroxypropyl)heptane-1,7-diol

CAS Number	154120-65-7
PubChem CID	12297928
IUPAC Name	4-(3-hydroxypropyl)heptane-1,7-diol
Molecular Formula	C10H22O3
Molecular Weight	190.28
XLogP	0.6
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	13
Formal Charge	0
Complexity	77

SMILES

C(CC(CCCO)CCCO)CO

InChI

InChI=1S/C10H22O3/c11-7-1-4-10(5-2-8-12)6-3-9-13/h10-13H,1-9H2

InChIKey

UDZBHPRIFDOBJA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 154120-65-7

CID: 12297928

Formula: C10H22O3

MW: 190.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.28
XLogP3	0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	190.15689456
Monoisotopic Mass	190.15689456
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	77.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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